REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 9nse_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.394 176.600 -0.343 0.000 0.988 69 K CA 0.000 56.062 56.287 -0.375 0.000 0.838 69 K CB 0.000 32.075 32.500 -0.708 0.000 1.064 70 F N 5.834 125.790 119.950 0.011 0.000 2.444 70 F HA 0.327 4.855 4.527 0.002 0.000 0.360 70 F C -1.869 173.999 175.800 0.113 0.000 1.106 70 F CA -2.107 55.917 58.000 0.040 0.000 1.170 70 F CB 0.357 39.380 39.000 0.040 0.000 1.113 70 F HN 0.024 nan 8.300 nan 0.000 0.521 71 P HA 0.041 nan 4.420 nan 0.000 0.268 71 P C -0.498 176.905 177.300 0.172 0.000 1.204 71 P CA -0.462 62.743 63.100 0.174 0.000 0.768 71 P CB 0.867 32.635 31.700 0.114 0.000 0.842 72 R N 2.832 123.389 120.500 0.096 0.000 2.216 72 R HA 0.346 4.687 4.340 0.002 0.000 0.332 72 R C -0.902 175.303 176.300 -0.157 0.000 1.056 72 R CA -0.471 55.512 56.100 -0.195 0.000 0.901 72 R CB 0.263 30.510 30.300 -0.088 0.000 1.039 72 R HN 0.257 nan 8.270 nan 0.000 0.456 73 V N 5.186 124.968 119.914 -0.221 0.000 2.427 73 V HA 0.365 4.486 4.120 0.002 0.000 0.286 73 V C -0.074 175.935 176.094 -0.141 0.000 1.034 73 V CA -0.596 61.648 62.300 -0.092 0.000 0.893 73 V CB 1.417 33.223 31.823 -0.028 0.000 0.982 73 V HN 0.727 nan 8.190 nan 0.000 0.452 74 K N 3.679 124.033 120.400 -0.077 0.000 2.371 74 K HA 0.397 4.718 4.320 0.002 0.000 0.251 74 K C -0.840 175.687 176.600 -0.122 0.000 0.934 74 K CA -0.719 55.450 56.287 -0.197 0.000 0.798 74 K CB 1.714 33.965 32.500 -0.414 0.000 1.204 74 K HN 0.728 nan 8.250 nan 0.000 0.427 75 N N 3.862 122.469 118.700 -0.155 0.000 2.437 75 N HA 0.099 4.840 4.740 0.002 0.000 0.259 75 N C -0.266 175.187 175.510 -0.095 0.000 0.983 75 N CA -0.293 52.764 53.050 0.012 0.000 0.937 75 N CB 0.512 39.025 38.487 0.042 0.000 1.122 75 N HN 0.657 nan 8.380 nan 0.000 0.499 76 W N 2.100 123.483 121.300 0.139 0.000 2.905 76 W HA 0.129 4.790 4.660 0.002 0.000 0.251 76 W C 2.061 178.633 176.519 0.088 0.000 1.305 76 W CA -0.141 57.278 57.345 0.123 0.000 1.465 76 W CB 0.264 29.823 29.460 0.164 0.000 1.122 76 W HN 0.673 nan 8.180 nan 0.000 0.659 77 E N 0.421 120.755 120.200 0.224 0.000 2.122 77 E HA -0.078 4.273 4.350 0.002 0.000 0.190 77 E C 1.553 178.172 176.600 0.032 0.000 0.977 77 E CA 0.973 57.408 56.400 0.059 0.000 0.820 77 E CB -0.104 29.590 29.700 -0.009 0.000 0.770 77 E HN 0.268 nan 8.360 nan 0.000 0.462 78 L N -1.103 120.136 121.223 0.026 0.000 2.731 78 L HA 0.410 4.751 4.340 0.002 0.000 0.240 78 L C 1.472 178.316 176.870 -0.043 0.000 1.120 78 L CA 0.292 55.129 54.840 -0.005 0.000 0.913 78 L CB 0.882 42.943 42.059 0.002 0.000 1.213 78 L HN 0.346 nan 8.230 nan 0.000 0.515 79 G N 0.690 109.436 108.800 -0.089 0.000 2.189 79 G HA2 -0.337 3.624 3.960 0.002 0.000 0.267 79 G HA3 -0.337 3.624 3.960 0.002 0.000 0.267 79 G C 0.450 175.248 174.900 -0.170 0.000 0.975 79 G CA 0.517 45.519 45.100 -0.163 0.000 0.644 79 G HN 0.483 nan 8.290 nan 0.000 0.537 80 S N -0.346 115.279 115.700 -0.126 0.000 2.576 80 S HA 0.703 5.174 4.470 0.002 0.000 0.276 80 S C 0.129 174.637 174.600 -0.153 0.000 1.339 80 S CA -0.305 57.829 58.200 -0.110 0.000 1.039 80 S CB 1.953 65.114 63.200 -0.065 0.000 0.902 80 S HN 0.587 nan 8.310 nan 0.000 0.516 81 I N 1.763 122.244 120.570 -0.147 0.000 2.608 81 I HA 0.547 4.718 4.170 0.002 0.000 0.295 81 I C -0.072 175.924 176.117 -0.202 0.000 1.049 81 I CA -0.497 60.677 61.300 -0.210 0.000 1.063 81 I CB 2.675 40.528 38.000 -0.245 0.000 1.248 81 I HN 0.970 nan 8.210 nan 0.000 0.424 82 T N 0.655 115.041 114.554 -0.280 0.000 2.883 82 T HA 0.599 4.950 4.350 0.002 0.000 0.301 82 T C -1.296 173.179 174.700 -0.375 0.000 1.158 82 T CA -0.818 61.159 62.100 -0.205 0.000 1.007 82 T CB 1.506 70.321 68.868 -0.089 0.000 1.186 82 T HN 0.258 nan 8.240 nan 0.000 0.499 83 Y N 0.537 120.825 120.300 -0.019 0.000 2.328 83 Y HA 0.408 4.959 4.550 0.002 0.000 0.333 83 Y C 0.166 176.052 175.900 -0.023 0.000 0.958 83 Y CA -0.948 57.148 58.100 -0.007 0.000 1.167 83 Y CB 1.479 39.923 38.460 -0.026 0.000 1.151 83 Y HN 0.710 nan 8.280 nan 0.000 0.470 84 D N 2.581 123.058 120.400 0.130 0.000 2.352 84 D HA 0.034 4.675 4.640 0.002 0.000 0.245 84 D C 0.765 177.116 176.300 0.086 0.000 1.224 84 D CA 0.285 54.341 54.000 0.093 0.000 0.879 84 D CB 1.080 41.952 40.800 0.119 0.000 1.057 84 D HN 0.790 nan 8.370 nan 0.000 0.491 85 T N 1.060 115.590 114.554 -0.040 0.000 3.022 85 T HA -0.046 4.305 4.350 0.002 0.000 0.250 85 T C 1.799 176.477 174.700 -0.037 0.000 1.060 85 T CA -0.291 61.707 62.100 -0.169 0.000 1.013 85 T CB 0.166 68.744 68.868 -0.483 0.000 0.982 85 T HN 0.247 nan 8.240 nan 0.000 0.508 86 L N 2.459 123.662 121.223 -0.032 0.000 2.201 86 L HA 0.078 4.419 4.340 0.002 0.000 0.212 86 L C 2.588 179.354 176.870 -0.173 0.000 1.105 86 L CA 1.029 55.860 54.840 -0.014 0.000 0.775 86 L CB -0.922 41.198 42.059 0.102 0.000 0.913 86 L HN 0.655 nan 8.230 nan 0.000 0.440 87 C N -1.642 117.346 119.300 -0.521 0.000 2.409 87 C HA 0.040 4.501 4.460 0.002 0.000 0.288 87 C C 2.749 177.522 174.990 -0.362 0.000 1.395 87 C CA 0.194 58.587 59.018 -1.042 0.000 1.792 87 C CB -2.245 24.884 27.740 -1.018 0.000 1.847 87 C HN 0.567 nan 8.230 nan 0.000 0.534 88 A N 0.130 122.894 122.820 -0.094 0.000 2.066 88 A HA -0.059 4.262 4.320 0.002 0.000 0.218 88 A C 2.239 179.828 177.584 0.008 0.000 1.157 88 A CA 1.237 53.282 52.037 0.014 0.000 0.670 88 A CB -0.410 18.715 19.000 0.208 0.000 0.804 88 A HN 0.658 nan 8.150 nan 0.000 0.453 89 Q N 0.207 120.010 119.800 0.005 0.000 2.472 89 Q HA 0.062 4.403 4.340 0.002 0.000 0.208 89 Q C 0.746 176.780 176.000 0.056 0.000 0.958 89 Q CA 0.348 56.176 55.803 0.041 0.000 0.932 89 Q CB -0.499 28.276 28.738 0.060 0.000 1.007 89 Q HN 0.490 nan 8.270 nan 0.000 0.508 90 S N 1.032 116.756 115.700 0.040 0.000 2.510 90 S HA 0.038 4.509 4.470 0.002 0.000 0.279 90 S C 0.869 175.502 174.600 0.054 0.000 1.284 90 S CA -0.109 58.141 58.200 0.084 0.000 1.059 90 S CB 0.513 63.777 63.200 0.107 0.000 0.901 90 S HN 0.096 nan 8.310 nan 0.000 0.491 91 Q N 2.182 122.019 119.800 0.061 0.000 2.350 91 Q HA 0.252 4.593 4.340 0.002 0.000 0.225 91 Q C 0.088 176.112 176.000 0.040 0.000 0.878 91 Q CA 0.305 56.135 55.803 0.045 0.000 0.935 91 Q CB 0.296 29.063 28.738 0.047 0.000 1.099 91 Q HN 0.634 nan 8.270 nan 0.000 0.527 92 Q N 1.312 121.141 119.800 0.048 0.000 2.245 92 Q HA 0.214 4.555 4.340 0.002 0.000 0.256 92 Q C -1.071 174.957 176.000 0.046 0.000 0.942 92 Q CA -0.189 55.638 55.803 0.040 0.000 0.896 92 Q CB 1.418 30.177 28.738 0.034 0.000 1.272 92 Q HN 0.040 nan 8.270 nan 0.000 0.442 93 D N 1.233 121.654 120.400 0.035 0.000 2.256 93 D HA 0.407 5.048 4.640 0.002 0.000 0.250 93 D C 0.193 176.516 176.300 0.038 0.000 1.093 93 D CA 0.017 54.039 54.000 0.036 0.000 0.882 93 D CB 1.326 42.142 40.800 0.025 0.000 1.185 93 D HN 0.633 nan 8.370 nan 0.000 0.437 94 G N 1.181 110.008 108.800 0.046 0.000 2.525 94 G HA2 0.312 4.273 3.960 0.002 0.000 0.287 94 G HA3 0.312 4.273 3.960 0.002 0.000 0.287 94 G C -1.366 173.555 174.900 0.036 0.000 1.350 94 G CA -0.670 44.456 45.100 0.044 0.000 1.039 94 G HN 0.361 nan 8.290 nan 0.000 0.513 95 P HA 0.128 nan 4.420 nan 0.000 0.240 95 P C 0.308 177.624 177.300 0.027 0.000 1.190 95 P CA 0.009 63.127 63.100 0.030 0.000 0.781 95 P CB 0.129 31.849 31.700 0.033 0.000 0.931 96 C N 0.804 120.122 119.300 0.030 0.000 2.520 96 C HA 0.607 5.068 4.460 0.002 0.000 0.376 96 C C 1.105 176.107 174.990 0.019 0.000 1.268 96 C CA 0.122 59.155 59.018 0.025 0.000 2.414 96 C CB 0.959 28.717 27.740 0.030 0.000 2.521 96 C HN 0.388 nan 8.230 nan 0.000 0.618 97 T N -1.565 112.997 114.554 0.014 0.000 2.812 97 T HA 0.452 4.803 4.350 0.002 0.000 0.294 97 T C -2.559 172.144 174.700 0.006 0.000 1.159 97 T CA -0.935 61.170 62.100 0.009 0.000 1.008 97 T CB 1.086 69.957 68.868 0.006 0.000 1.289 97 T HN 0.271 nan 8.240 nan 0.000 0.514 98 P HA 0.202 nan 4.420 nan 0.000 0.225 98 P C 1.511 178.811 177.300 -0.000 0.000 1.156 98 P CA 0.287 63.387 63.100 0.000 0.000 0.787 98 P CB 0.159 31.857 31.700 -0.003 0.000 0.802 99 R N 0.079 120.579 120.500 0.000 0.000 2.092 99 R HA -0.051 4.290 4.340 0.002 0.000 0.231 99 R C 0.562 176.862 176.300 -0.000 0.000 1.119 99 R CA 0.976 57.076 56.100 -0.000 0.000 0.970 99 R CB 0.179 30.479 30.300 -0.000 0.000 0.864 99 R HN 0.080 nan 8.270 nan 0.000 0.440 100 R N -0.485 120.016 120.500 0.002 0.000 2.629 100 R HA 0.126 4.467 4.340 0.002 0.000 0.266 100 R C -1.826 174.477 176.300 0.006 0.000 1.051 100 R CA -0.731 55.370 56.100 0.002 0.000 0.895 100 R CB 0.104 30.406 30.300 0.002 0.000 1.246 100 R HN 0.077 nan 8.270 nan 0.000 0.459 101 C N 3.567 122.870 119.300 0.004 0.000 2.307 101 C HA 0.585 5.046 4.460 0.002 0.000 0.340 101 C C 0.241 175.240 174.990 0.015 0.000 1.275 101 C CA -0.580 58.444 59.018 0.009 0.000 1.811 101 C CB -0.437 27.304 27.740 0.002 0.000 2.372 101 C HN 0.687 nan 8.230 nan 0.000 0.531 102 L N 5.875 127.112 121.223 0.024 0.000 3.066 102 L HA 0.356 4.697 4.340 0.002 0.000 0.265 102 L C 2.044 178.942 176.870 0.047 0.000 1.232 102 L CA 0.729 55.588 54.840 0.031 0.000 1.031 102 L CB -0.086 41.990 42.059 0.028 0.000 1.379 102 L HN 1.046 nan 8.230 nan 0.000 0.563 103 G N -0.698 108.131 108.800 0.049 0.000 2.535 103 G HA2 -0.234 3.727 3.960 0.002 0.000 0.218 103 G HA3 -0.234 3.727 3.960 0.002 0.000 0.218 103 G C 1.428 176.391 174.900 0.105 0.000 1.122 103 G CA 1.093 46.235 45.100 0.071 0.000 0.769 103 G HN 0.512 nan 8.290 nan 0.000 0.549 104 S N -0.381 115.378 115.700 0.097 0.000 2.575 104 S HA 0.348 4.819 4.470 0.002 0.000 0.215 104 S C 0.804 175.486 174.600 0.135 0.000 0.966 104 S CA -0.570 57.708 58.200 0.130 0.000 0.911 104 S CB -0.085 63.172 63.200 0.095 0.000 0.780 104 S HN 0.133 nan 8.310 nan 0.000 0.514 105 L N 1.979 123.266 121.223 0.107 0.000 2.380 105 L HA 0.285 4.626 4.340 0.002 0.000 0.273 105 L C 1.483 178.432 176.870 0.132 0.000 1.138 105 L CA -0.566 54.331 54.840 0.095 0.000 0.832 105 L CB 0.967 43.060 42.059 0.057 0.000 1.124 105 L HN 0.013 nan 8.230 nan 0.000 0.454 106 V N 3.833 123.831 119.914 0.141 0.000 2.307 106 V HA -0.166 3.955 4.120 0.002 0.000 0.245 106 V C 0.531 176.651 176.094 0.044 0.000 1.045 106 V CA 1.480 63.888 62.300 0.179 0.000 1.024 106 V CB -0.460 31.464 31.823 0.168 0.000 0.651 106 V HN 0.699 nan 8.190 nan 0.000 0.449 107 L N -1.526 119.682 121.223 -0.025 0.000 2.620 107 L HA 0.645 4.986 4.340 0.002 0.000 0.261 107 L C -3.091 173.765 176.870 -0.023 0.000 0.978 107 L CA -1.443 53.357 54.840 -0.067 0.000 0.897 107 L CB 0.575 42.464 42.059 -0.284 0.000 1.207 107 L HN -0.120 nan 8.230 nan 0.000 0.425 108 P HA 0.454 nan 4.420 nan 0.000 0.282 108 P C 0.201 177.507 177.300 0.011 0.000 1.249 108 P CA -0.698 62.410 63.100 0.014 0.000 0.806 108 P CB 1.059 32.775 31.700 0.026 0.000 0.984 109 R N 1.187 121.687 120.500 -0.000 0.000 2.341 109 R HA -0.079 4.262 4.340 0.002 0.000 0.213 109 R C 1.487 177.791 176.300 0.007 0.000 1.082 109 R CA 0.775 56.873 56.100 -0.004 0.000 1.017 109 R CB -0.225 30.068 30.300 -0.012 0.000 0.860 109 R HN 0.365 nan 8.270 nan 0.000 0.473 110 K N 1.013 121.422 120.400 0.015 0.000 1.965 110 K HA -0.107 4.214 4.320 0.002 0.000 0.214 110 K C 1.994 178.609 176.600 0.025 0.000 1.042 110 K CA 0.917 57.214 56.287 0.018 0.000 0.950 110 K CB -0.803 31.709 32.500 0.019 0.000 0.733 110 K HN 0.122 nan 8.250 nan 0.000 0.441 111 L N 2.290 123.535 121.223 0.037 0.000 2.189 111 L HA -0.133 4.208 4.340 0.002 0.000 0.214 111 L C 1.040 177.940 176.870 0.050 0.000 1.097 111 L CA 1.344 56.208 54.840 0.041 0.000 0.764 111 L CB -0.702 41.388 42.059 0.051 0.000 0.900 111 L HN 0.227 nan 8.230 nan 0.000 0.436 112 Q N 0.501 120.340 119.800 0.065 0.000 2.286 112 Q HA 0.014 4.355 4.340 0.002 0.000 0.290 112 Q C -0.414 175.607 176.000 0.035 0.000 1.049 112 Q CA 0.683 56.529 55.803 0.072 0.000 0.923 112 Q CB 0.378 29.148 28.738 0.053 0.000 1.183 112 Q HN 0.507 nan 8.270 nan 0.000 0.383 113 T N 3.372 117.946 114.554 0.035 0.000 3.151 113 T HA 0.378 4.729 4.350 0.002 0.000 0.332 113 T C -0.021 174.678 174.700 -0.000 0.000 1.245 113 T CA -0.675 61.431 62.100 0.011 0.000 1.019 113 T CB 0.224 69.095 68.868 0.005 0.000 1.109 113 T HN 0.426 nan 8.240 nan 0.000 0.621 114 R N 2.048 122.542 120.500 -0.010 0.000 2.580 114 R HA 0.443 4.784 4.340 0.002 0.000 0.267 114 R C -2.133 174.151 176.300 -0.026 0.000 1.125 114 R CA -1.698 54.387 56.100 -0.025 0.000 1.188 114 R CB -0.225 30.059 30.300 -0.028 0.000 1.155 114 R HN 0.343 nan 8.270 nan 0.000 0.586 115 P HA 0.017 nan 4.420 nan 0.000 0.272 115 P C -0.762 176.526 177.300 -0.021 0.000 1.254 115 P CA -0.100 62.984 63.100 -0.027 0.000 0.795 115 P CB 0.603 32.285 31.700 -0.030 0.000 1.022 116 S N -1.037 114.653 115.700 -0.018 0.000 2.627 116 S HA 0.662 5.133 4.470 0.002 0.000 0.283 116 S C -2.305 172.288 174.600 -0.010 0.000 1.127 116 S CA -0.902 57.290 58.200 -0.014 0.000 0.863 116 S CB 0.703 63.894 63.200 -0.015 0.000 1.121 116 S HN 0.249 nan 8.310 nan 0.000 0.479 117 P HA 0.477 nan 4.420 nan 0.000 0.258 117 P C 0.380 177.679 177.300 -0.003 0.000 1.416 117 P CA 0.065 63.162 63.100 -0.004 0.000 0.927 117 P CB 0.050 31.748 31.700 -0.003 0.000 1.444 118 G N 0.184 108.981 108.800 -0.004 0.000 2.360 118 G HA2 0.339 4.300 3.960 0.002 0.000 0.276 118 G HA3 0.339 4.300 3.960 0.002 0.000 0.276 118 G C -3.323 171.574 174.900 -0.005 0.000 1.256 118 G CA -0.739 44.360 45.100 -0.002 0.000 0.890 118 G HN -0.188 nan 8.290 nan 0.000 0.486 119 P HA 0.509 nan 4.420 nan 0.000 0.290 119 P C -2.434 174.865 177.300 -0.002 0.000 1.276 119 P CA -1.095 62.004 63.100 -0.003 0.000 0.808 119 P CB 0.633 32.335 31.700 0.003 0.000 0.966 120 P HA 0.163 nan 4.420 nan 0.000 0.268 120 P C -2.346 174.958 177.300 0.006 0.000 1.208 120 P CA -0.731 62.369 63.100 -0.000 0.000 0.777 120 P CB -0.985 30.714 31.700 -0.002 0.000 0.875 121 P HA 0.014 nan 4.420 nan 0.000 0.264 121 P C 0.455 177.762 177.300 0.012 0.000 1.193 121 P CA 0.233 63.338 63.100 0.008 0.000 0.763 121 P CB 0.412 32.117 31.700 0.007 0.000 0.810 122 A N 4.088 126.915 122.820 0.012 0.000 2.024 122 A HA -0.219 4.102 4.320 0.002 0.000 0.220 122 A C 1.924 179.513 177.584 0.009 0.000 1.164 122 A CA 1.412 53.458 52.037 0.014 0.000 0.643 122 A CB -0.646 18.362 19.000 0.012 0.000 0.806 122 A HN 0.519 nan 8.150 nan 0.000 0.451 123 E N -0.102 120.103 120.200 0.007 0.000 2.072 123 E HA -0.193 4.158 4.350 0.002 0.000 0.191 123 E C 2.215 178.821 176.600 0.009 0.000 0.985 123 E CA 1.366 57.770 56.400 0.005 0.000 0.801 123 E CB -0.345 29.358 29.700 0.004 0.000 0.750 123 E HN 0.810 nan 8.360 nan 0.000 0.452 124 Q N 0.298 120.106 119.800 0.013 0.000 2.046 124 Q HA -0.124 4.217 4.340 0.002 0.000 0.200 124 Q C 2.354 178.370 176.000 0.027 0.000 0.975 124 Q CA 0.864 56.678 55.803 0.018 0.000 0.836 124 Q CB -0.197 28.550 28.738 0.016 0.000 0.896 124 Q HN 0.115 nan 8.270 nan 0.000 0.428 125 L N 0.739 121.980 121.223 0.030 0.000 2.017 125 L HA -0.166 4.175 4.340 0.002 0.000 0.208 125 L C 2.076 178.970 176.870 0.040 0.000 1.073 125 L CA 1.452 56.324 54.840 0.053 0.000 0.745 125 L CB -0.660 41.438 42.059 0.065 0.000 0.894 125 L HN 0.189 nan 8.230 nan 0.000 0.432 126 L N -0.465 120.762 121.223 0.006 0.000 2.079 126 L HA -0.193 4.148 4.340 0.002 0.000 0.210 126 L C 2.771 179.631 176.870 -0.015 0.000 1.081 126 L CA 2.114 56.934 54.840 -0.034 0.000 0.752 126 L CB -0.807 41.233 42.059 -0.032 0.000 0.896 126 L HN 0.638 nan 8.230 nan 0.000 0.433 127 S N -1.933 113.773 115.700 0.011 0.000 2.406 127 S HA -0.201 4.270 4.470 0.002 0.000 0.228 127 S C 1.837 176.470 174.600 0.055 0.000 1.020 127 S CA 0.957 59.173 58.200 0.026 0.000 0.965 127 S CB -0.507 62.708 63.200 0.025 0.000 0.798 127 S HN 0.637 nan 8.310 nan 0.000 0.488 128 Q N 1.054 120.894 119.800 0.067 0.000 2.123 128 Q HA 0.174 4.515 4.340 0.002 0.000 0.199 128 Q C 2.592 178.690 176.000 0.163 0.000 0.966 128 Q CA 1.183 57.050 55.803 0.106 0.000 0.845 128 Q CB -0.460 28.333 28.738 0.092 0.000 0.907 128 Q HN 0.749 nan 8.270 nan 0.000 0.439 129 A N 1.557 124.448 122.820 0.118 0.000 1.855 129 A HA -0.181 4.140 4.320 0.002 0.000 0.215 129 A C 2.021 179.674 177.584 0.116 0.000 1.191 129 A CA 1.224 53.321 52.037 0.101 0.000 0.613 129 A CB -0.398 18.427 19.000 -0.291 0.000 0.829 129 A HN 0.190 nan 8.150 nan 0.000 0.442 130 R N -0.455 120.071 120.500 0.043 0.000 2.105 130 R HA -0.177 4.164 4.340 0.002 0.000 0.239 130 R C 1.973 178.347 176.300 0.124 0.000 1.135 130 R CA 1.631 57.767 56.100 0.060 0.000 0.967 130 R CB -0.503 29.808 30.300 0.018 0.000 0.861 130 R HN 0.742 nan 8.270 nan 0.000 0.442 131 D N 0.249 120.733 120.400 0.139 0.000 2.097 131 D HA -0.206 4.435 4.640 0.002 0.000 0.195 131 D C 1.655 178.084 176.300 0.215 0.000 0.989 131 D CA 0.954 55.049 54.000 0.158 0.000 0.827 131 D CB -0.079 40.811 40.800 0.149 0.000 0.966 131 D HN 0.147 nan 8.370 nan 0.000 0.456 132 F N 0.784 120.826 119.950 0.153 0.000 2.146 132 F HA -0.056 4.472 4.527 0.002 0.000 0.298 132 F C 1.905 177.850 175.800 0.242 0.000 1.096 132 F CA 0.970 59.097 58.000 0.210 0.000 1.275 132 F CB -0.191 38.938 39.000 0.214 0.000 1.008 132 F HN -0.005 nan 8.300 nan 0.000 0.480 133 I N 0.812 121.412 120.570 0.051 0.000 2.286 133 I HA -0.282 3.889 4.170 0.002 0.000 0.248 133 I C 1.958 178.129 176.117 0.090 0.000 1.115 133 I CA 1.086 62.419 61.300 0.054 0.000 1.392 133 I CB -1.676 36.468 38.000 0.242 0.000 1.065 133 I HN 0.222 nan 8.210 nan 0.000 0.418 134 N N 0.866 119.652 118.700 0.142 0.000 2.166 134 N HA -0.175 4.566 4.740 0.002 0.000 0.186 134 N C 1.856 177.339 175.510 -0.044 0.000 1.019 134 N CA 1.029 54.158 53.050 0.132 0.000 0.856 134 N CB -0.230 38.357 38.487 0.166 0.000 0.993 134 N HN 0.509 nan 8.380 nan 0.000 0.426 135 Q N -0.645 119.124 119.800 -0.052 0.000 2.046 135 Q HA -0.156 4.185 4.340 0.002 0.000 0.200 135 Q C 1.784 177.562 176.000 -0.370 0.000 0.975 135 Q CA 1.176 56.953 55.803 -0.044 0.000 0.836 135 Q CB -0.241 28.610 28.738 0.189 0.000 0.896 135 Q HN 0.448 nan 8.270 nan 0.000 0.428 136 Y N 0.062 119.878 120.300 -0.806 0.000 2.114 136 Y HA -0.306 4.244 4.550 0.002 0.000 0.284 136 Y C 1.760 177.100 175.900 -0.933 0.000 1.143 136 Y CA 1.708 59.028 58.100 -1.301 0.000 1.135 136 Y CB -0.454 37.336 38.460 -1.115 0.000 0.980 136 Y HN 0.086 nan 8.280 nan 0.000 0.499 137 Y N -0.775 119.135 120.300 -0.649 0.000 2.352 137 Y HA -0.189 4.362 4.550 0.002 0.000 0.292 137 Y C 3.023 178.591 175.900 -0.554 0.000 1.136 137 Y CA 1.617 59.312 58.100 -0.675 0.000 1.227 137 Y CB -0.643 37.311 38.460 -0.844 0.000 0.991 137 Y HN 0.226 nan 8.280 nan 0.000 0.545 138 S N -0.676 114.812 115.700 -0.352 0.000 2.387 138 S HA -0.187 4.284 4.470 0.002 0.000 0.226 138 S C 2.402 176.846 174.600 -0.261 0.000 1.026 138 S CA 1.315 59.382 58.200 -0.222 0.000 0.972 138 S CB -0.626 62.497 63.200 -0.129 0.000 0.814 138 S HN 0.592 nan 8.310 nan 0.000 0.477 139 S N 2.473 117.920 115.700 -0.421 0.000 2.356 139 S HA -0.105 4.366 4.470 0.002 0.000 0.223 139 S C 1.811 176.197 174.600 -0.357 0.000 1.032 139 S CA 1.314 59.297 58.200 -0.362 0.000 1.005 139 S CB -1.081 61.778 63.200 -0.569 0.000 0.867 139 S HN 0.796 nan 8.310 nan 0.000 0.449 140 I N -2.725 117.515 120.570 -0.551 0.000 3.735 140 I HA 0.331 4.502 4.170 0.002 0.000 0.310 140 I C 0.409 176.375 176.117 -0.251 0.000 1.270 140 I CA -0.113 60.935 61.300 -0.419 0.000 1.207 140 I CB -0.203 37.447 38.000 -0.584 0.000 1.013 140 I HN -0.026 nan 8.210 nan 0.000 0.452 141 K N 0.723 120.995 120.400 -0.212 0.000 3.529 141 K HA -0.221 4.100 4.320 0.002 0.000 0.313 141 K C 0.662 177.216 176.600 -0.078 0.000 1.316 141 K CA 0.996 57.210 56.287 -0.120 0.000 0.988 141 K CB -1.633 30.816 32.500 -0.085 0.000 1.252 141 K HN 0.421 nan 8.250 nan 0.000 0.438 142 R N 1.217 121.675 120.500 -0.071 0.000 2.547 142 R HA 0.112 4.453 4.340 0.002 0.000 0.258 142 R C 0.207 176.533 176.300 0.043 0.000 1.115 142 R CA 0.193 56.309 56.100 0.027 0.000 1.152 142 R CB 0.269 30.648 30.300 0.131 0.000 1.221 142 R HN 0.189 nan 8.270 nan 0.000 0.539 143 S N -0.182 115.509 115.700 -0.015 0.000 2.465 143 S HA 0.329 4.800 4.470 0.002 0.000 0.307 143 S C 1.155 175.822 174.600 0.112 0.000 1.187 143 S CA 0.902 59.112 58.200 0.016 0.000 1.141 143 S CB -0.164 63.026 63.200 -0.015 0.000 1.108 143 S HN 0.698 nan 8.310 nan 0.000 0.525 144 G N 3.119 112.052 108.800 0.222 0.000 2.380 144 G HA2 -0.217 3.744 3.960 0.002 0.000 0.197 144 G HA3 -0.217 3.744 3.960 0.002 0.000 0.197 144 G C 0.263 175.176 174.900 0.021 0.000 1.001 144 G CA -0.011 45.141 45.100 0.087 0.000 0.668 144 G HN 1.352 nan 8.290 nan 0.000 0.483 145 S N 0.425 116.140 115.700 0.025 0.000 2.587 145 S HA 0.366 4.837 4.470 0.002 0.000 0.260 145 S C 1.253 175.826 174.600 -0.046 0.000 1.353 145 S CA 0.730 58.927 58.200 -0.005 0.000 0.995 145 S CB 1.280 64.490 63.200 0.017 0.000 0.912 145 S HN 0.188 nan 8.310 nan 0.000 0.568 146 Q N 0.734 120.510 119.800 -0.040 0.000 2.170 146 Q HA -0.072 4.269 4.340 0.002 0.000 0.203 146 Q C 2.497 178.450 176.000 -0.079 0.000 0.976 146 Q CA 1.645 57.413 55.803 -0.057 0.000 0.858 146 Q CB -1.051 27.668 28.738 -0.032 0.000 0.907 146 Q HN 0.933 nan 8.270 nan 0.000 0.433 147 A N -0.394 122.390 122.820 -0.061 0.000 1.978 147 A HA -0.227 4.094 4.320 0.002 0.000 0.220 147 A C 1.906 179.287 177.584 -0.337 0.000 1.170 147 A CA 1.750 53.752 52.037 -0.058 0.000 0.636 147 A CB -0.782 18.282 19.000 0.107 0.000 0.810 147 A HN 0.573 nan 8.150 nan 0.000 0.448 148 H N -1.405 117.235 119.070 -0.716 0.000 2.307 148 H HA -0.108 4.449 4.556 0.002 0.000 0.303 148 H C 2.189 177.227 175.328 -0.484 0.000 1.073 148 H CA 1.379 56.773 56.048 -1.089 0.000 1.338 148 H CB 0.143 29.450 29.762 -0.757 0.000 1.389 148 H HN 0.473 nan 8.280 nan 0.000 0.503 149 E N 0.972 120.987 120.200 -0.308 0.000 2.153 149 E HA -0.149 4.202 4.350 0.002 0.000 0.194 149 E C 1.956 178.461 176.600 -0.158 0.000 0.988 149 E CA 1.409 57.650 56.400 -0.266 0.000 0.811 149 E CB 0.003 29.586 29.700 -0.194 0.000 0.746 149 E HN 0.607 nan 8.360 nan 0.000 0.466 150 E N -0.695 119.435 120.200 -0.117 0.000 2.152 150 E HA -0.129 4.222 4.350 0.002 0.000 0.192 150 E C 2.035 178.620 176.600 -0.024 0.000 0.983 150 E CA 0.705 57.072 56.400 -0.055 0.000 0.818 150 E CB -0.011 29.673 29.700 -0.026 0.000 0.758 150 E HN -0.020 nan 8.360 nan 0.000 0.467 151 R N 1.073 121.559 120.500 -0.023 0.000 2.115 151 R HA -0.032 4.309 4.340 0.002 0.000 0.226 151 R C 1.951 178.278 176.300 0.046 0.000 1.100 151 R CA 0.964 57.106 56.100 0.070 0.000 0.980 151 R CB -0.358 30.067 30.300 0.208 0.000 0.875 151 R HN 0.144 nan 8.270 nan 0.000 0.445 152 L N -0.222 120.990 121.223 -0.018 0.000 2.093 152 L HA -0.098 4.243 4.340 0.002 0.000 0.208 152 L C 2.355 179.192 176.870 -0.055 0.000 1.085 152 L CA 1.219 56.031 54.840 -0.046 0.000 0.755 152 L CB -0.340 41.645 42.059 -0.124 0.000 0.904 152 L HN 0.214 nan 8.230 nan 0.000 0.435 153 Q N 0.209 119.978 119.800 -0.051 0.000 2.079 153 Q HA -0.202 4.139 4.340 0.002 0.000 0.200 153 Q C 2.068 178.060 176.000 -0.015 0.000 0.974 153 Q CA 1.561 57.342 55.803 -0.037 0.000 0.840 153 Q CB 0.044 28.761 28.738 -0.034 0.000 0.898 153 Q HN 0.403 nan 8.270 nan 0.000 0.430 154 E N -0.983 119.221 120.200 0.006 0.000 2.058 154 E HA -0.179 4.172 4.350 0.002 0.000 0.194 154 E C 1.949 178.568 176.600 0.031 0.000 0.997 154 E CA 1.502 57.923 56.400 0.035 0.000 0.801 154 E CB -0.027 29.712 29.700 0.066 0.000 0.746 154 E HN 0.175 nan 8.360 nan 0.000 0.450 155 V N 1.612 121.520 119.914 -0.010 0.000 2.295 155 V HA -0.267 3.854 4.120 0.002 0.000 0.246 155 V C 2.067 178.094 176.094 -0.112 0.000 1.049 155 V CA 1.936 64.166 62.300 -0.118 0.000 1.024 155 V CB -0.502 31.152 31.823 -0.282 0.000 0.648 155 V HN 0.248 nan 8.190 nan 0.000 0.447 156 E N 0.279 120.431 120.200 -0.079 0.000 2.077 156 E HA -0.190 4.161 4.350 0.002 0.000 0.193 156 E C 2.334 178.924 176.600 -0.018 0.000 0.989 156 E CA 1.304 57.672 56.400 -0.054 0.000 0.800 156 E CB -0.330 29.342 29.700 -0.046 0.000 0.746 156 E HN 0.608 nan 8.360 nan 0.000 0.452 157 A N 1.337 124.156 122.820 -0.001 0.000 1.898 157 A HA -0.242 4.079 4.320 0.002 0.000 0.216 157 A C 2.044 179.651 177.584 0.038 0.000 1.181 157 A CA 1.590 53.637 52.037 0.018 0.000 0.620 157 A CB -0.395 18.618 19.000 0.022 0.000 0.819 157 A HN 0.216 nan 8.150 nan 0.000 0.442 158 E N -0.400 119.836 120.200 0.059 0.000 2.072 158 E HA -0.107 4.244 4.350 0.002 0.000 0.191 158 E C 1.888 178.546 176.600 0.098 0.000 0.985 158 E CA 1.257 57.719 56.400 0.103 0.000 0.801 158 E CB -0.065 29.738 29.700 0.172 0.000 0.750 158 E HN 0.322 nan 8.360 nan 0.000 0.452 159 V N 1.054 121.011 119.914 0.070 0.000 2.307 159 V HA -0.238 3.883 4.120 0.002 0.000 0.245 159 V C 2.399 178.518 176.094 0.041 0.000 1.045 159 V CA 1.756 64.093 62.300 0.061 0.000 1.024 159 V CB -0.717 31.115 31.823 0.015 0.000 0.651 159 V HN 0.418 nan 8.190 nan 0.000 0.449 160 A N -0.222 122.612 122.820 0.025 0.000 1.940 160 A HA -0.200 4.121 4.320 0.002 0.000 0.219 160 A C 2.437 180.037 177.584 0.027 0.000 1.176 160 A CA 2.428 54.477 52.037 0.019 0.000 0.631 160 A CB -0.516 18.491 19.000 0.011 0.000 0.814 160 A HN 0.549 nan 8.150 nan 0.000 0.446 161 S N -1.116 114.606 115.700 0.035 0.000 2.404 161 S HA -0.050 4.421 4.470 0.002 0.000 0.223 161 S C 1.945 176.572 174.600 0.045 0.000 1.040 161 S CA 1.494 59.717 58.200 0.038 0.000 0.957 161 S CB -0.220 63.005 63.200 0.041 0.000 0.826 161 S HN 0.865 nan 8.310 nan 0.000 0.491 162 T N -1.961 112.628 114.554 0.058 0.000 3.054 162 T HA 0.446 4.797 4.350 0.002 0.000 0.255 162 T C 1.416 176.148 174.700 0.055 0.000 1.035 162 T CA 0.745 62.883 62.100 0.064 0.000 0.941 162 T CB 0.329 69.252 68.868 0.092 0.000 1.026 162 T HN 0.539 nan 8.240 nan 0.000 0.533 163 G N 0.269 109.099 108.800 0.050 0.000 2.155 163 G HA2 -0.200 3.761 3.960 0.002 0.000 0.257 163 G HA3 -0.200 3.761 3.960 0.002 0.000 0.257 163 G C 0.178 175.107 174.900 0.048 0.000 0.983 163 G CA 0.652 45.777 45.100 0.042 0.000 0.676 163 G HN 1.051 nan 8.290 nan 0.000 0.528 164 T N -1.771 112.826 114.554 0.073 0.000 2.661 164 T HA 0.663 5.014 4.350 0.002 0.000 0.305 164 T C -1.401 173.397 174.700 0.163 0.000 1.441 164 T CA 0.435 62.579 62.100 0.073 0.000 0.999 164 T CB 1.313 70.148 68.868 -0.054 0.000 1.650 164 T HN 1.659 nan 8.240 nan 0.000 0.489 165 Y N -0.597 119.612 120.300 -0.151 0.000 2.764 165 Y HA 0.842 5.392 4.550 0.002 0.000 0.331 165 Y C -1.696 174.004 175.900 -0.333 0.000 1.280 165 Y CA -1.122 56.921 58.100 -0.094 0.000 1.065 165 Y CB 0.712 39.176 38.460 0.007 0.000 1.319 165 Y HN 0.818 nan 8.280 nan 0.000 0.453 166 H N 0.350 119.387 119.070 -0.055 0.000 2.821 166 H HA 0.715 5.272 4.556 0.002 0.000 0.373 166 H C -1.169 174.158 175.328 -0.002 0.000 1.165 166 H CA -0.808 55.163 56.048 -0.128 0.000 1.154 166 H CB 2.090 31.847 29.762 -0.009 0.000 1.765 166 H HN 0.737 nan 8.280 nan 0.000 0.549 167 L N 2.133 123.403 121.223 0.079 0.000 2.360 167 L HA 0.496 4.837 4.340 0.002 0.000 0.271 167 L C 0.241 177.172 176.870 0.102 0.000 1.057 167 L CA -1.118 53.800 54.840 0.130 0.000 0.803 167 L CB 0.707 42.818 42.059 0.087 0.000 1.207 167 L HN 0.387 nan 8.230 nan 0.000 0.445 168 R N 1.099 121.640 120.500 0.069 0.000 2.531 168 R HA 0.070 4.411 4.340 0.002 0.000 0.273 168 R C 0.871 177.161 176.300 -0.016 0.000 1.070 168 R CA -0.315 55.798 56.100 0.020 0.000 1.112 168 R CB 0.514 30.810 30.300 -0.007 0.000 1.049 168 R HN 0.658 nan 8.270 nan 0.000 0.508 169 E N 1.074 121.264 120.200 -0.016 0.000 2.118 169 E HA -0.220 4.131 4.350 0.002 0.000 0.195 169 E C 1.255 177.840 176.600 -0.026 0.000 0.992 169 E CA 1.916 58.298 56.400 -0.030 0.000 0.804 169 E CB 0.253 29.938 29.700 -0.024 0.000 0.741 169 E HN 0.663 nan 8.360 nan 0.000 0.458 170 S N 0.113 115.796 115.700 -0.029 0.000 2.382 170 S HA -0.182 4.289 4.470 0.002 0.000 0.228 170 S C 1.749 176.340 174.600 -0.016 0.000 1.027 170 S CA 1.250 59.457 58.200 0.011 0.000 0.991 170 S CB -0.252 62.975 63.200 0.045 0.000 0.823 170 S HN 0.321 nan 8.310 nan 0.000 0.469 171 E N 0.888 120.946 120.200 -0.237 0.000 2.072 171 E HA 0.006 4.357 4.350 0.002 0.000 0.190 171 E C 2.032 178.768 176.600 0.228 0.000 0.982 171 E CA 0.994 57.273 56.400 -0.202 0.000 0.803 171 E CB -0.300 29.277 29.700 -0.204 0.000 0.755 171 E HN 0.446 nan 8.360 nan 0.000 0.453 172 L N 0.664 121.924 121.223 0.062 0.000 2.131 172 L HA -0.142 4.199 4.340 0.002 0.000 0.210 172 L C 2.104 178.965 176.870 -0.014 0.000 1.092 172 L CA 1.163 55.978 54.840 -0.042 0.000 0.759 172 L CB -0.039 41.927 42.059 -0.156 0.000 0.903 172 L HN -0.054 nan 8.230 nan 0.000 0.435 173 V N -0.640 119.304 119.914 0.049 0.000 2.307 173 V HA -0.280 3.841 4.120 0.002 0.000 0.245 173 V C 2.273 178.470 176.094 0.171 0.000 1.045 173 V CA 2.025 64.363 62.300 0.064 0.000 1.024 173 V CB -0.851 31.009 31.823 0.061 0.000 0.651 173 V HN 0.575 nan 8.190 nan 0.000 0.449 174 F N 2.113 122.163 119.950 0.166 0.000 2.171 174 F HA -0.018 4.510 4.527 0.002 0.000 0.300 174 F C 2.101 178.065 175.800 0.273 0.000 1.090 174 F CA 1.629 59.780 58.000 0.252 0.000 1.293 174 F CB -0.769 38.460 39.000 0.382 0.000 1.013 174 F HN 0.119 nan 8.300 nan 0.000 0.486 175 G N -0.186 108.737 108.800 0.205 0.000 2.402 175 G HA2 -0.167 3.794 3.960 0.002 0.000 0.216 175 G HA3 -0.167 3.794 3.960 0.002 0.000 0.216 175 G C 1.819 176.614 174.900 -0.175 0.000 1.162 175 G CA 0.724 45.823 45.100 -0.002 0.000 0.777 175 G HN 0.606 nan 8.290 nan 0.000 0.539 176 A N 0.944 123.688 122.820 -0.127 0.000 1.898 176 A HA 0.024 4.345 4.320 0.002 0.000 0.216 176 A C 2.295 179.901 177.584 0.037 0.000 1.181 176 A CA 1.881 53.850 52.037 -0.113 0.000 0.620 176 A CB -0.334 18.623 19.000 -0.072 0.000 0.819 176 A HN 0.363 nan 8.150 nan 0.000 0.442 177 K N -1.041 119.416 120.400 0.095 0.000 2.147 177 K HA -0.174 4.147 4.320 0.002 0.000 0.205 177 K C 2.277 178.993 176.600 0.194 0.000 1.049 177 K CA 1.548 58.001 56.287 0.277 0.000 0.936 177 K CB -0.086 32.594 32.500 0.301 0.000 0.722 177 K HN 0.448 nan 8.250 nan 0.000 0.446 178 Q N 0.492 120.218 119.800 -0.122 0.000 2.172 178 Q HA 0.013 4.354 4.340 0.002 0.000 0.200 178 Q C 1.778 177.656 176.000 -0.203 0.000 0.964 178 Q CA 1.277 56.897 55.803 -0.304 0.000 0.855 178 Q CB -0.008 28.402 28.738 -0.545 0.000 0.918 178 Q HN 0.318 nan 8.270 nan 0.000 0.444 179 A N -0.762 121.958 122.820 -0.168 0.000 1.969 179 A HA -0.147 4.174 4.320 0.002 0.000 0.218 179 A C 1.741 179.398 177.584 0.121 0.000 1.169 179 A CA 1.216 53.119 52.037 -0.222 0.000 0.635 179 A CB -0.976 17.588 19.000 -0.726 0.000 0.810 179 A HN 0.679 nan 8.150 nan 0.000 0.445 180 W N 1.039 122.383 121.300 0.072 0.000 2.409 180 W HA -0.069 4.592 4.660 0.002 0.000 0.299 180 W C 2.275 178.764 176.519 -0.050 0.000 1.203 180 W CA 1.347 58.744 57.345 0.087 0.000 1.298 180 W CB -0.612 28.895 29.460 0.079 0.000 1.127 180 W HN 0.347 nan 8.180 nan 0.000 0.528 181 R N 0.376 120.808 120.500 -0.115 0.000 2.105 181 R HA -0.178 4.163 4.340 0.002 0.000 0.239 181 R C 1.446 177.574 176.300 -0.286 0.000 1.135 181 R CA 1.827 57.622 56.100 -0.509 0.000 0.967 181 R CB -0.557 29.126 30.300 -1.028 0.000 0.861 181 R HN 0.081 nan 8.270 nan 0.000 0.442 182 N N 0.327 118.921 118.700 -0.177 0.000 2.398 182 N HA 0.022 4.763 4.740 0.002 0.000 0.188 182 N C -0.402 175.062 175.510 -0.078 0.000 1.122 182 N CA 0.585 53.557 53.050 -0.131 0.000 0.866 182 N CB 0.523 38.939 38.487 -0.118 0.000 0.970 182 N HN 0.164 nan 8.380 nan 0.000 0.462 183 A N 2.032 124.852 122.820 -0.000 0.000 2.475 183 A HA 0.248 4.569 4.320 0.002 0.000 0.293 183 A C -1.220 176.347 177.584 -0.029 0.000 1.252 183 A CA -0.988 51.053 52.037 0.008 0.000 0.920 183 A CB 0.262 19.315 19.000 0.089 0.000 1.125 183 A HN 0.006 nan 8.150 nan 0.000 0.528 184 P HA -0.164 nan 4.420 nan 0.000 0.216 184 P C 1.077 178.333 177.300 -0.073 0.000 1.150 184 P CA 1.248 64.295 63.100 -0.088 0.000 0.843 184 P CB 0.130 31.745 31.700 -0.142 0.000 0.787 185 R N -2.059 118.354 120.500 -0.144 0.000 2.320 185 R HA 0.138 4.479 4.340 0.002 0.000 0.211 185 R C 0.213 176.523 176.300 0.016 0.000 0.931 185 R CA -0.142 55.887 56.100 -0.119 0.000 1.071 185 R CB -0.594 29.392 30.300 -0.523 0.000 1.025 185 R HN 0.204 nan 8.270 nan 0.000 0.495 186 C N 0.280 119.573 119.300 -0.011 0.000 2.273 186 C HA 0.253 4.714 4.460 0.002 0.000 0.328 186 C C 1.767 176.699 174.990 -0.096 0.000 1.275 186 C CA -0.677 58.357 59.018 0.027 0.000 1.704 186 C CB 0.831 28.657 27.740 0.142 0.000 2.326 186 C HN 0.273 nan 8.230 nan 0.000 0.517 187 V N 5.715 125.541 119.914 -0.146 0.000 3.541 187 V HA 0.232 4.353 4.120 0.002 0.000 0.267 187 V C 1.741 177.848 176.094 0.022 0.000 1.213 187 V CA 1.915 64.023 62.300 -0.319 0.000 1.149 187 V CB 0.050 31.710 31.823 -0.271 0.000 0.822 187 V HN 1.077 nan 8.190 nan 0.000 0.462 188 G N -0.573 108.284 108.800 0.095 0.000 3.523 188 G HA2 0.055 4.016 3.960 0.002 0.000 0.270 188 G HA3 0.055 4.016 3.960 0.002 0.000 0.270 188 G C 1.115 176.057 174.900 0.069 0.000 1.134 188 G CA -0.373 44.804 45.100 0.129 0.000 0.825 188 G HN 0.421 nan 8.290 nan 0.000 0.534 189 R N -0.151 120.306 120.500 -0.072 0.000 2.357 189 R HA 0.159 4.500 4.340 0.002 0.000 0.202 189 R C 1.924 177.779 176.300 -0.743 0.000 1.047 189 R CA 0.144 55.899 56.100 -0.575 0.000 1.034 189 R CB -0.168 29.798 30.300 -0.557 0.000 0.875 189 R HN 0.449 nan 8.270 nan 0.000 0.473 190 I N 0.377 120.708 120.570 -0.398 0.000 2.830 190 I HA -0.194 3.977 4.170 0.002 0.000 0.263 190 I C 1.100 177.129 176.117 -0.147 0.000 1.230 190 I CA 1.064 62.274 61.300 -0.150 0.000 1.480 190 I CB 0.216 38.248 38.000 0.053 0.000 1.095 190 I HN 0.210 nan 8.210 nan 0.000 0.455 191 Q N 0.460 120.114 119.800 -0.245 0.000 2.360 191 Q HA -0.075 4.266 4.340 0.002 0.000 0.202 191 Q C 1.565 177.182 176.000 -0.639 0.000 0.915 191 Q CA 0.168 55.837 55.803 -0.224 0.000 0.943 191 Q CB -0.123 28.654 28.738 0.065 0.000 1.064 191 Q HN 0.763 nan 8.270 nan 0.000 0.511 192 W N 0.099 120.687 121.300 -1.187 0.000 2.313 192 W HA -0.156 4.505 4.660 0.002 0.000 0.293 192 W C 1.064 177.312 176.519 -0.452 0.000 1.216 192 W CA 1.309 57.822 57.345 -1.387 0.000 1.223 192 W CB -1.160 27.667 29.460 -1.055 0.000 1.138 192 W HN 0.083 nan 8.180 nan 0.000 0.535 193 G N 1.037 109.212 108.800 -1.042 0.000 2.712 193 G HA2 -0.142 3.819 3.960 0.002 0.000 0.212 193 G HA3 -0.142 3.819 3.960 0.002 0.000 0.212 193 G C 0.790 175.505 174.900 -0.308 0.000 1.142 193 G CA -0.108 44.473 45.100 -0.866 0.000 0.789 193 G HN 0.231 nan 8.290 nan 0.000 0.535 194 K N 0.393 120.706 120.400 -0.145 0.000 2.290 194 K HA 0.505 4.826 4.320 0.002 0.000 0.250 194 K C -1.625 175.090 176.600 0.193 0.000 1.092 194 K CA -0.632 55.672 56.287 0.028 0.000 1.006 194 K CB 0.266 32.803 32.500 0.062 0.000 1.549 194 K HN 0.078 nan 8.250 nan 0.000 0.436 195 L N 3.151 124.461 121.223 0.146 0.000 2.476 195 L HA 0.293 4.634 4.340 0.002 0.000 0.269 195 L C -1.317 175.543 176.870 -0.017 0.000 0.965 195 L CA -0.404 54.524 54.840 0.147 0.000 0.845 195 L CB 1.968 44.187 42.059 0.268 0.000 1.259 195 L HN 0.435 nan 8.230 nan 0.000 0.403 196 Q N 3.455 123.192 119.800 -0.106 0.000 2.323 196 Q HA 0.462 4.803 4.340 0.002 0.000 0.257 196 Q C -1.487 174.166 176.000 -0.580 0.000 1.022 196 Q CA -0.060 55.504 55.803 -0.398 0.000 0.919 196 Q CB 0.909 29.303 28.738 -0.575 0.000 1.220 196 Q HN 0.515 nan 8.270 nan 0.000 0.427 197 V N 6.345 125.964 119.914 -0.493 0.000 2.348 197 V HA 0.327 4.448 4.120 0.002 0.000 0.270 197 V C -0.535 175.264 176.094 -0.491 0.000 1.037 197 V CA -0.525 61.538 62.300 -0.395 0.000 0.872 197 V CB -0.089 31.613 31.823 -0.202 0.000 1.002 197 V HN 0.607 nan 8.190 nan 0.000 0.464 198 F N 2.828 122.654 119.950 -0.206 0.000 2.390 198 F HA 0.324 4.852 4.527 0.002 0.000 0.361 198 F C 0.681 176.311 175.800 -0.283 0.000 1.124 198 F CA -0.909 56.958 58.000 -0.220 0.000 1.149 198 F CB 0.679 39.554 39.000 -0.208 0.000 1.160 198 F HN 0.425 nan 8.300 nan 0.000 0.501 199 D N 3.302 123.662 120.400 -0.067 0.000 2.352 199 D HA 0.343 4.984 4.640 0.002 0.000 0.245 199 D C 0.203 176.339 176.300 -0.274 0.000 1.224 199 D CA 0.157 54.055 54.000 -0.171 0.000 0.879 199 D CB 1.115 41.857 40.800 -0.098 0.000 1.057 199 D HN 0.622 nan 8.370 nan 0.000 0.491 200 A N 4.567 127.055 122.820 -0.554 0.000 2.594 200 A HA 0.147 4.468 4.320 0.002 0.000 0.287 200 A C 1.500 178.814 177.584 -0.449 0.000 1.227 200 A CA -0.392 51.083 52.037 -0.937 0.000 0.952 200 A CB 0.089 17.957 19.000 -1.886 0.000 1.161 200 A HN 0.546 nan 8.150 nan 0.000 0.524 201 R N 1.040 121.398 120.500 -0.238 0.000 2.339 201 R HA -0.046 4.295 4.340 0.002 0.000 0.199 201 R C 0.158 176.431 176.300 -0.045 0.000 1.018 201 R CA 1.155 57.192 56.100 -0.105 0.000 1.036 201 R CB -0.008 30.280 30.300 -0.021 0.000 0.899 201 R HN 0.683 nan 8.270 nan 0.000 0.473 202 D N -0.674 119.722 120.400 -0.007 0.000 2.427 202 D HA -0.012 4.629 4.640 0.002 0.000 0.224 202 D C -0.219 176.163 176.300 0.136 0.000 1.157 202 D CA -0.298 53.742 54.000 0.068 0.000 0.828 202 D CB -0.174 40.681 40.800 0.091 0.000 0.974 202 D HN 0.003 nan 8.370 nan 0.000 0.498 203 C N 1.571 120.937 119.300 0.109 0.000 2.388 203 C HA 0.465 4.926 4.460 0.002 0.000 0.362 203 C C 1.596 176.699 174.990 0.189 0.000 1.266 203 C CA 0.038 59.178 59.018 0.205 0.000 2.028 203 C CB 0.500 28.388 27.740 0.247 0.000 2.440 203 C HN 0.434 nan 8.230 nan 0.000 0.547 204 S N 2.296 118.161 115.700 0.275 0.000 2.733 204 S HA 0.286 4.757 4.470 0.002 0.000 0.247 204 S C 0.046 174.831 174.600 0.307 0.000 1.043 204 S CA 0.253 58.652 58.200 0.333 0.000 1.066 204 S CB -0.232 63.093 63.200 0.210 0.000 1.045 204 S HN 1.183 nan 8.310 nan 0.000 0.586 205 S N -0.261 115.608 115.700 0.283 0.000 2.618 205 S HA 0.844 5.315 4.470 0.002 0.000 0.277 205 S C 0.885 175.593 174.600 0.181 0.000 1.138 205 S CA -0.333 57.984 58.200 0.195 0.000 0.844 205 S CB 1.094 64.380 63.200 0.142 0.000 1.127 205 S HN 0.469 nan 8.310 nan 0.000 0.474 206 A N 0.762 123.667 122.820 0.142 0.000 1.933 206 A HA -0.075 4.246 4.320 0.002 0.000 0.218 206 A C 2.083 179.678 177.584 0.018 0.000 1.175 206 A CA 1.547 53.659 52.037 0.125 0.000 0.628 206 A CB -0.958 18.194 19.000 0.253 0.000 0.814 206 A HN 0.757 nan 8.150 nan 0.000 0.444 207 Q N 0.028 119.923 119.800 0.159 0.000 2.124 207 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 207 Q C 1.814 177.828 176.000 0.024 0.000 0.977 207 Q CA 1.880 57.743 55.803 0.100 0.000 0.850 207 Q CB -0.250 28.616 28.738 0.213 0.000 0.901 207 Q HN 0.817 nan 8.270 nan 0.000 0.429 208 E N -0.586 119.662 120.200 0.080 0.000 2.072 208 E HA -0.110 4.241 4.350 0.002 0.000 0.190 208 E C 2.139 178.852 176.600 0.188 0.000 0.982 208 E CA 0.801 57.270 56.400 0.115 0.000 0.803 208 E CB -0.073 29.740 29.700 0.189 0.000 0.755 208 E HN 0.355 nan 8.360 nan 0.000 0.453 209 M N 0.023 119.694 119.600 0.118 0.000 2.149 209 M HA -0.179 4.302 4.480 0.002 0.000 0.261 209 M C 2.171 178.505 176.300 0.056 0.000 1.064 209 M CA 1.272 56.582 55.300 0.017 0.000 1.102 209 M CB -0.268 32.126 32.600 -0.344 0.000 1.369 209 M HN 0.114 nan 8.290 nan 0.000 0.408 210 F N 1.406 121.147 119.950 -0.347 0.000 2.134 210 F HA -0.202 4.326 4.527 0.002 0.000 0.299 210 F C 2.696 178.386 175.800 -0.183 0.000 1.097 210 F CA 2.005 59.742 58.000 -0.437 0.000 1.264 210 F CB -0.791 37.612 39.000 -0.995 0.000 1.001 210 F HN 0.232 nan 8.300 nan 0.000 0.479 211 T N -2.403 112.005 114.554 -0.243 0.000 2.821 211 T HA -0.230 4.121 4.350 0.002 0.000 0.267 211 T C 1.920 176.474 174.700 -0.244 0.000 1.046 211 T CA 1.455 63.365 62.100 -0.317 0.000 1.139 211 T CB -1.196 67.535 68.868 -0.228 0.000 0.871 211 T HN 0.309 nan 8.240 nan 0.000 0.454 212 Y N 1.297 121.541 120.300 -0.094 0.000 2.200 212 Y HA 0.199 4.750 4.550 0.002 0.000 0.290 212 Y C 2.350 178.195 175.900 -0.091 0.000 1.137 212 Y CA 0.206 58.263 58.100 -0.072 0.000 1.163 212 Y CB -0.423 38.095 38.460 0.097 0.000 0.988 212 Y HN 0.210 nan 8.280 nan 0.000 0.518 213 I N -1.636 119.019 120.570 0.142 0.000 2.226 213 I HA -0.357 3.814 4.170 0.002 0.000 0.245 213 I C 2.211 178.271 176.117 -0.094 0.000 1.100 213 I CA 1.040 62.363 61.300 0.037 0.000 1.374 213 I CB -0.429 37.588 38.000 0.029 0.000 1.057 213 I HN 0.242 nan 8.210 nan 0.000 0.413 214 C N 0.418 119.552 119.300 -0.276 0.000 2.422 214 C HA -0.137 4.324 4.460 0.002 0.000 0.279 214 C C 2.607 177.495 174.990 -0.171 0.000 1.305 214 C CA 1.292 60.136 59.018 -0.291 0.000 1.757 214 C CB -1.508 25.937 27.740 -0.491 0.000 1.962 214 C HN 0.583 nan 8.230 nan 0.000 0.499 215 N N 0.200 118.789 118.700 -0.185 0.000 2.216 215 N HA -0.154 4.587 4.740 0.002 0.000 0.183 215 N C 1.586 176.968 175.510 -0.212 0.000 1.017 215 N CA 1.770 54.693 53.050 -0.212 0.000 0.861 215 N CB -0.511 37.797 38.487 -0.299 0.000 0.986 215 N HN 0.728 nan 8.380 nan 0.000 0.428 216 H N -0.319 118.574 119.070 -0.296 0.000 2.293 216 H HA 0.016 4.573 4.556 0.002 0.000 0.300 216 H C 1.980 177.324 175.328 0.027 0.000 1.082 216 H CA 2.132 58.075 56.048 -0.176 0.000 1.308 216 H CB -0.120 29.599 29.762 -0.072 0.000 1.375 216 H HN 0.214 nan 8.280 nan 0.000 0.495 217 I N 1.134 121.840 120.570 0.227 0.000 2.127 217 I HA -0.297 3.874 4.170 0.002 0.000 0.241 217 I C 2.692 178.865 176.117 0.094 0.000 1.075 217 I CA 1.603 62.996 61.300 0.157 0.000 1.334 217 I CB -0.433 37.590 38.000 0.038 0.000 1.040 217 I HN 0.369 nan 8.210 nan 0.000 0.405 218 K N 1.228 121.652 120.400 0.040 0.000 2.097 218 K HA -0.274 4.047 4.320 0.002 0.000 0.206 218 K C 2.238 178.869 176.600 0.052 0.000 1.049 218 K CA 1.844 58.146 56.287 0.024 0.000 0.933 218 K CB -0.797 31.698 32.500 -0.007 0.000 0.717 218 K HN 0.366 nan 8.250 nan 0.000 0.442 219 Y N 1.281 121.574 120.300 -0.012 0.000 2.133 219 Y HA -0.094 4.457 4.550 0.002 0.000 0.287 219 Y C 2.409 178.348 175.900 0.065 0.000 1.134 219 Y CA 2.213 60.340 58.100 0.044 0.000 1.133 219 Y CB -0.542 37.989 38.460 0.118 0.000 0.987 219 Y HN 0.173 nan 8.280 nan 0.000 0.502 220 A N -0.430 122.463 122.820 0.123 0.000 1.877 220 A HA -0.185 4.136 4.320 0.002 0.000 0.216 220 A C 2.203 179.803 177.584 0.026 0.000 1.186 220 A CA 2.402 54.487 52.037 0.079 0.000 0.620 220 A CB -1.406 17.706 19.000 0.187 0.000 0.822 220 A HN 0.534 nan 8.150 nan 0.000 0.443 221 T N -0.366 114.215 114.554 0.045 0.000 2.674 221 T HA -0.158 4.193 4.350 0.002 0.000 0.265 221 T C 1.039 175.729 174.700 -0.016 0.000 1.039 221 T CA 1.202 63.325 62.100 0.038 0.000 1.150 221 T CB -0.570 68.323 68.868 0.041 0.000 0.864 221 T HN 0.742 nan 8.240 nan 0.000 0.427 222 N N 0.611 119.273 118.700 -0.064 0.000 2.725 222 N HA -0.284 4.457 4.740 0.002 0.000 0.251 222 N C -0.046 175.430 175.510 -0.057 0.000 1.031 222 N CA 0.342 53.336 53.050 -0.094 0.000 0.720 222 N CB -0.490 37.901 38.487 -0.160 0.000 0.930 222 N HN 0.412 nan 8.380 nan 0.000 0.543 223 R N -2.473 118.005 120.500 -0.037 0.000 4.016 223 R HA -0.269 4.072 4.340 0.002 0.000 0.385 223 R C 1.179 177.458 176.300 -0.034 0.000 1.158 223 R CA 1.521 57.601 56.100 -0.033 0.000 1.117 223 R CB -1.823 28.456 30.300 -0.036 0.000 1.635 223 R HN 0.879 nan 8.270 nan 0.000 0.560 224 G N -0.290 108.494 108.800 -0.027 0.000 2.480 224 G HA2 -0.257 3.704 3.960 0.002 0.000 0.193 224 G HA3 -0.257 3.704 3.960 0.002 0.000 0.193 224 G C -0.142 174.743 174.900 -0.026 0.000 1.004 224 G CA 0.022 45.108 45.100 -0.024 0.000 0.696 224 G HN 0.377 nan 8.290 nan 0.000 0.478 225 N N 1.443 120.115 118.700 -0.047 0.000 3.034 225 N HA 0.431 5.172 4.740 0.002 0.000 0.265 225 N C 0.194 175.670 175.510 -0.056 0.000 1.166 225 N CA -0.655 52.351 53.050 -0.074 0.000 1.081 225 N CB -0.059 38.379 38.487 -0.081 0.000 1.378 225 N HN 0.111 nan 8.380 nan 0.000 0.520 226 L N 2.197 123.418 121.223 -0.004 0.000 2.543 226 L HA 0.009 4.350 4.340 0.002 0.000 0.285 226 L C 0.694 177.674 176.870 0.183 0.000 1.236 226 L CA 1.139 56.048 54.840 0.115 0.000 0.871 226 L CB 0.137 42.362 42.059 0.277 0.000 1.121 226 L HN 0.393 nan 8.230 nan 0.000 0.501 227 R N 1.157 121.769 120.500 0.187 0.000 2.575 227 R HA 0.421 4.761 4.340 0.002 0.000 0.293 227 R C -0.721 175.728 176.300 0.249 0.000 0.983 227 R CA -0.695 55.538 56.100 0.222 0.000 0.887 227 R CB 1.748 32.032 30.300 -0.028 0.000 1.184 227 R HN 0.580 nan 8.270 nan 0.000 0.445 228 S N 1.578 117.425 115.700 0.246 0.000 2.537 228 S HA 0.413 4.884 4.470 0.002 0.000 0.286 228 S C -0.255 174.385 174.600 0.068 0.000 1.299 228 S CA -0.186 58.047 58.200 0.055 0.000 1.067 228 S CB 1.075 64.250 63.200 -0.042 0.000 0.864 228 S HN 0.678 nan 8.310 nan 0.000 0.494 229 A N 3.047 125.872 122.820 0.008 0.000 2.606 229 A HA 0.846 5.167 4.320 0.002 0.000 0.293 229 A C -1.198 176.430 177.584 0.074 0.000 1.082 229 A CA -0.681 51.322 52.037 -0.057 0.000 0.685 229 A CB 1.272 20.202 19.000 -0.117 0.000 1.284 229 A HN 0.803 nan 8.150 nan 0.000 0.408 230 I N 0.487 121.107 120.570 0.083 0.000 2.656 230 I HA 0.589 4.760 4.170 0.002 0.000 0.292 230 I C -1.199 175.053 176.117 0.225 0.000 1.144 230 I CA -0.094 61.366 61.300 0.266 0.000 1.038 230 I CB 2.378 40.469 38.000 0.153 0.000 1.244 230 I HN 0.595 nan 8.210 nan 0.000 0.420 231 T N 6.432 121.136 114.554 0.250 0.000 2.770 231 T HA 0.430 4.781 4.350 0.002 0.000 0.283 231 T C -0.664 173.839 174.700 -0.328 0.000 0.988 231 T CA -0.346 61.732 62.100 -0.038 0.000 0.957 231 T CB 1.456 70.258 68.868 -0.110 0.000 0.930 231 T HN 0.262 nan 8.240 nan 0.000 0.443 232 V N 5.319 124.973 119.914 -0.432 0.000 2.333 232 V HA 0.446 4.567 4.120 0.002 0.000 0.274 232 V C -0.300 175.480 176.094 -0.523 0.000 1.028 232 V CA -0.749 61.300 62.300 -0.418 0.000 0.851 232 V CB -0.196 31.342 31.823 -0.475 0.000 1.000 232 V HN 0.707 nan 8.190 nan 0.000 0.456 233 F N 5.294 125.158 119.950 -0.144 0.000 2.362 233 F HA 0.488 5.016 4.527 0.002 0.000 0.311 233 F C -1.780 173.932 175.800 -0.147 0.000 1.161 233 F CA -2.458 55.398 58.000 -0.240 0.000 1.085 233 F CB 0.152 39.014 39.000 -0.231 0.000 1.311 233 F HN 0.297 nan 8.300 nan 0.000 0.524 234 P HA -0.029 nan 4.420 nan 0.000 0.264 234 P C -0.874 176.472 177.300 0.078 0.000 1.183 234 P CA -0.044 62.990 63.100 -0.111 0.000 0.763 234 P CB 0.183 31.629 31.700 -0.424 0.000 0.807 235 Q N 3.859 123.680 119.800 0.034 0.000 2.651 235 Q HA 0.114 4.455 4.340 0.002 0.000 0.224 235 Q C -0.239 175.681 176.000 -0.133 0.000 1.094 235 Q CA -0.231 55.360 55.803 -0.354 0.000 1.018 235 Q CB 0.471 28.767 28.738 -0.737 0.000 1.292 235 Q HN 0.355 nan 8.270 nan 0.000 0.588 236 R N -0.038 120.336 120.500 -0.210 0.000 2.438 236 R HA 0.475 4.816 4.340 0.002 0.000 0.287 236 R C -0.765 175.488 176.300 -0.079 0.000 1.077 236 R CA -0.024 56.029 56.100 -0.079 0.000 1.034 236 R CB 0.968 31.211 30.300 -0.095 0.000 0.993 236 R HN 0.683 nan 8.270 nan 0.000 0.459 237 A N 4.394 127.209 122.820 -0.009 0.000 2.331 237 A HA 0.423 4.744 4.320 0.002 0.000 0.320 237 A C -1.608 175.974 177.584 -0.003 0.000 1.138 237 A CA -1.610 50.424 52.037 -0.005 0.000 0.790 237 A CB 1.172 20.198 19.000 0.042 0.000 1.206 237 A HN 0.511 nan 8.150 nan 0.000 0.470 238 P HA -0.113 nan 4.420 nan 0.000 0.221 238 P C 1.077 178.380 177.300 0.005 0.000 1.145 238 P CA 1.786 64.882 63.100 -0.005 0.000 0.795 238 P CB 0.173 31.870 31.700 -0.005 0.000 0.775 239 G N -0.325 108.483 108.800 0.013 0.000 3.371 239 G HA2 0.226 4.187 3.960 0.002 0.000 0.248 239 G HA3 0.226 4.187 3.960 0.002 0.000 0.248 239 G C 0.453 175.362 174.900 0.015 0.000 1.161 239 G CA -0.286 44.823 45.100 0.015 0.000 0.796 239 G HN 0.421 nan 8.290 nan 0.000 0.539 240 R N -2.557 117.950 120.500 0.012 0.000 2.741 240 R HA 0.590 4.931 4.340 0.002 0.000 0.276 240 R C 0.159 176.458 176.300 -0.002 0.000 1.028 240 R CA -0.507 55.596 56.100 0.004 0.000 0.865 240 R CB -0.043 30.259 30.300 0.004 0.000 1.268 240 R HN 0.045 nan 8.270 nan 0.000 0.475 241 G N 0.070 108.859 108.800 -0.019 0.000 2.667 241 G HA2 0.279 4.240 3.960 0.002 0.000 0.250 241 G HA3 0.279 4.240 3.960 0.002 0.000 0.250 241 G C -0.871 174.011 174.900 -0.030 0.000 1.212 241 G CA -0.384 44.704 45.100 -0.019 0.000 0.874 241 G HN 0.560 nan 8.290 nan 0.000 0.561 242 D N -0.852 119.550 120.400 0.003 0.000 2.348 242 D HA 0.337 4.978 4.640 0.002 0.000 0.249 242 D C -0.451 175.863 176.300 0.022 0.000 1.110 242 D CA 0.011 54.046 54.000 0.058 0.000 0.967 242 D CB 1.087 41.940 40.800 0.087 0.000 1.139 242 D HN 0.095 nan 8.370 nan 0.000 0.466 243 F N 1.260 121.246 119.950 0.061 0.000 2.424 243 F HA 0.309 4.837 4.527 0.002 0.000 0.356 243 F C 0.942 176.779 175.800 0.062 0.000 1.110 243 F CA -0.116 57.906 58.000 0.038 0.000 1.161 243 F CB 0.651 39.667 39.000 0.026 0.000 1.115 243 F HN -0.217 nan 8.300 nan 0.000 0.507 244 R N 4.204 124.835 120.500 0.220 0.000 2.673 244 R HA 0.536 4.877 4.340 0.002 0.000 0.281 244 R C -1.191 175.271 176.300 0.270 0.000 0.991 244 R CA -0.885 55.369 56.100 0.256 0.000 0.896 244 R CB 2.355 32.854 30.300 0.331 0.000 1.201 244 R HN 0.619 nan 8.270 nan 0.000 0.457 245 I N 1.961 122.678 120.570 0.245 0.000 2.330 245 I HA 0.169 4.340 4.170 0.002 0.000 0.289 245 I C 0.471 176.814 176.117 0.375 0.000 1.001 245 I CA -0.440 60.991 61.300 0.219 0.000 1.193 245 I CB 1.166 39.234 38.000 0.114 0.000 1.345 245 I HN 0.514 nan 8.210 nan 0.000 0.461 246 W N 3.460 124.812 121.300 0.088 0.000 2.425 246 W HA -0.062 4.600 4.660 0.002 0.000 0.277 246 W C 0.848 177.480 176.519 0.189 0.000 1.231 246 W CA -0.002 57.469 57.345 0.210 0.000 1.248 246 W CB -0.863 28.684 29.460 0.146 0.000 1.117 246 W HN 0.403 nan 8.180 nan 0.000 0.568 247 N N -0.071 118.792 118.700 0.271 0.000 2.518 247 N HA 0.028 4.769 4.740 0.002 0.000 0.266 247 N C 1.332 176.909 175.510 0.112 0.000 1.196 247 N CA 0.762 53.893 53.050 0.135 0.000 0.947 247 N CB 0.889 39.392 38.487 0.026 0.000 1.098 247 N HN -0.117 nan 8.380 nan 0.000 0.450 248 S N 1.032 116.791 115.700 0.099 0.000 2.406 248 S HA -0.060 4.411 4.470 0.002 0.000 0.228 248 S C 0.360 174.967 174.600 0.011 0.000 1.020 248 S CA 0.751 58.999 58.200 0.079 0.000 0.965 248 S CB 0.028 63.296 63.200 0.113 0.000 0.798 248 S HN 0.649 nan 8.310 nan 0.000 0.488 249 Q N -0.758 119.032 119.800 -0.017 0.000 2.456 249 Q HA 0.507 4.848 4.340 0.002 0.000 0.283 249 Q C 0.263 176.182 176.000 -0.136 0.000 1.084 249 Q CA -0.572 55.180 55.803 -0.085 0.000 0.801 249 Q CB 1.943 30.664 28.738 -0.027 0.000 1.434 249 Q HN 0.117 nan 8.270 nan 0.000 0.419 250 L N 0.148 121.260 121.223 -0.184 0.000 2.131 250 L HA -0.012 4.329 4.340 0.002 0.000 0.210 250 L C 0.428 177.141 176.870 -0.262 0.000 1.092 250 L CA 0.908 55.636 54.840 -0.186 0.000 0.759 250 L CB 0.110 42.056 42.059 -0.188 0.000 0.903 250 L HN 0.273 nan 8.230 nan 0.000 0.435 251 V N 0.739 120.393 119.914 -0.434 0.000 2.409 251 V HA 0.484 4.605 4.120 0.002 0.000 0.291 251 V C -0.188 175.396 176.094 -0.849 0.000 1.020 251 V CA -0.713 61.138 62.300 -0.748 0.000 0.848 251 V CB 1.656 32.776 31.823 -1.171 0.000 0.990 251 V HN 0.163 nan 8.190 nan 0.000 0.430 252 R N 2.622 122.761 120.500 -0.601 0.000 2.740 252 R HA 0.541 4.882 4.340 0.002 0.000 0.273 252 R C -1.872 174.234 176.300 -0.323 0.000 0.998 252 R CA -0.810 55.082 56.100 -0.346 0.000 0.900 252 R CB 2.499 32.716 30.300 -0.138 0.000 1.223 252 R HN 0.572 nan 8.270 nan 0.000 0.466 253 Y N 0.057 120.372 120.300 0.025 0.000 2.361 253 Y HA 0.497 5.048 4.550 0.002 0.000 0.332 253 Y C 0.784 176.666 175.900 -0.031 0.000 1.101 253 Y CA -0.722 57.404 58.100 0.043 0.000 1.137 253 Y CB 1.575 40.133 38.460 0.163 0.000 1.207 253 Y HN 0.715 nan 8.280 nan 0.000 0.463 254 A N 1.446 124.321 122.820 0.093 0.000 2.425 254 A HA 0.543 4.864 4.320 0.002 0.000 0.242 254 A C 0.541 177.888 177.584 -0.396 0.000 1.077 254 A CA 0.355 52.268 52.037 -0.205 0.000 0.781 254 A CB -0.275 18.550 19.000 -0.292 0.000 1.020 254 A HN 0.963 nan 8.150 nan 0.000 0.494 255 G N 0.775 109.300 108.800 -0.458 0.000 2.866 255 G HA2 0.530 4.491 3.960 0.002 0.000 0.291 255 G HA3 0.530 4.491 3.960 0.002 0.000 0.291 255 G C -1.194 173.530 174.900 -0.293 0.000 1.476 255 G CA -0.258 44.639 45.100 -0.339 0.000 1.048 255 G HN 0.500 nan 8.290 nan 0.000 0.542 256 Y N 1.265 121.584 120.300 0.033 0.000 2.404 256 Y HA 0.404 4.955 4.550 0.002 0.000 0.344 256 Y C 1.003 176.907 175.900 0.007 0.000 0.970 256 Y CA -1.247 56.872 58.100 0.031 0.000 1.180 256 Y CB 1.171 39.646 38.460 0.025 0.000 1.138 256 Y HN 0.480 nan 8.280 nan 0.000 0.510 257 R N 4.212 124.796 120.500 0.139 0.000 2.357 257 R HA 0.073 4.414 4.340 0.002 0.000 0.330 257 R C -0.125 176.219 176.300 0.073 0.000 1.102 257 R CA -0.339 55.808 56.100 0.079 0.000 0.974 257 R CB 0.225 30.559 30.300 0.057 0.000 1.002 257 R HN 0.662 nan 8.270 nan 0.000 0.463 258 Q N 2.365 122.201 119.800 0.059 0.000 2.526 258 Q HA -0.081 4.260 4.340 0.002 0.000 0.207 258 Q C 1.260 177.273 176.000 0.023 0.000 1.078 258 Q CA 0.065 55.891 55.803 0.038 0.000 1.041 258 Q CB 0.420 29.175 28.738 0.029 0.000 1.228 258 Q HN 0.679 nan 8.270 nan 0.000 0.603 259 Q N 0.978 120.785 119.800 0.012 0.000 1.998 259 Q HA -0.222 4.119 4.340 0.002 0.000 0.209 259 Q C 0.676 176.681 176.000 0.008 0.000 1.002 259 Q CA 2.077 57.884 55.803 0.007 0.000 0.858 259 Q CB -0.483 28.255 28.738 -0.000 0.000 0.932 259 Q HN 0.662 nan 8.270 nan 0.000 0.416 260 D N -0.082 120.323 120.400 0.008 0.000 2.494 260 D HA 0.094 4.735 4.640 0.002 0.000 0.249 260 D C 0.936 177.243 176.300 0.010 0.000 1.223 260 D CA 0.570 54.574 54.000 0.007 0.000 0.865 260 D CB -0.434 40.369 40.800 0.005 0.000 0.974 260 D HN 0.610 nan 8.370 nan 0.000 0.491 261 G N -0.269 108.539 108.800 0.014 0.000 2.205 261 G HA2 -0.369 3.592 3.960 0.002 0.000 0.269 261 G HA3 -0.369 3.592 3.960 0.002 0.000 0.269 261 G C 0.565 175.475 174.900 0.016 0.000 0.977 261 G CA 0.741 45.850 45.100 0.016 0.000 0.652 261 G HN 0.684 nan 8.290 nan 0.000 0.539 262 S N -1.465 114.243 115.700 0.014 0.000 2.641 262 S HA 0.547 5.018 4.470 0.002 0.000 0.251 262 S C 0.261 174.868 174.600 0.012 0.000 1.332 262 S CA 0.578 58.784 58.200 0.010 0.000 0.968 262 S CB 1.029 64.235 63.200 0.009 0.000 0.987 262 S HN 1.074 nan 8.310 nan 0.000 0.587 263 V N 2.250 122.163 119.914 -0.002 0.000 2.655 263 V HA 0.422 4.543 4.120 0.002 0.000 0.301 263 V C -0.670 175.404 176.094 -0.032 0.000 1.082 263 V CA -0.804 61.489 62.300 -0.011 0.000 0.899 263 V CB 1.745 33.542 31.823 -0.043 0.000 1.014 263 V HN 0.845 nan 8.190 nan 0.000 0.429 264 R N 3.456 123.971 120.500 0.025 0.000 2.196 264 R HA 0.741 5.082 4.340 0.002 0.000 0.340 264 R C 0.480 176.747 176.300 -0.056 0.000 1.043 264 R CA 1.170 57.293 56.100 0.039 0.000 0.883 264 R CB 0.592 31.005 30.300 0.189 0.000 1.078 264 R HN 1.356 nan 8.270 nan 0.000 0.462 265 G N 2.956 111.630 108.800 -0.209 0.000 2.418 265 G HA2 -0.201 3.760 3.960 0.002 0.000 0.206 265 G HA3 -0.201 3.760 3.960 0.002 0.000 0.206 265 G C -1.459 173.074 174.900 -0.611 0.000 1.202 265 G CA -0.217 44.681 45.100 -0.337 0.000 1.061 265 G HN 0.622 nan 8.290 nan 0.000 0.563 266 D N 1.543 121.717 120.400 -0.377 0.000 2.339 266 D HA 0.542 5.183 4.640 0.002 0.000 0.241 266 D C -1.104 175.096 176.300 -0.167 0.000 1.183 266 D CA -1.936 51.880 54.000 -0.306 0.000 0.859 266 D CB 1.481 42.400 40.800 0.198 0.000 1.067 266 D HN -0.010 nan 8.370 nan 0.000 0.484 267 P HA -0.043 nan 4.420 nan 0.000 0.225 267 P C 0.724 178.026 177.300 0.003 0.000 1.148 267 P CA 0.684 63.740 63.100 -0.073 0.000 0.779 267 P CB 0.319 31.983 31.700 -0.060 0.000 0.780 268 A N -0.555 122.285 122.820 0.034 0.000 2.119 268 A HA -0.055 4.266 4.320 0.002 0.000 0.216 268 A C 1.524 179.160 177.584 0.086 0.000 1.152 268 A CA 1.083 53.172 52.037 0.087 0.000 0.708 268 A CB -0.673 18.401 19.000 0.124 0.000 0.805 268 A HN 0.124 nan 8.150 nan 0.000 0.460 269 N N -0.241 118.492 118.700 0.056 0.000 2.273 269 N HA 0.156 4.897 4.740 0.002 0.000 0.231 269 N C 0.984 176.489 175.510 -0.008 0.000 1.134 269 N CA 0.105 53.175 53.050 0.034 0.000 0.856 269 N CB 0.788 39.295 38.487 0.033 0.000 1.068 269 N HN 0.182 nan 8.380 nan 0.000 0.510 270 V N 0.770 120.684 119.914 0.000 0.000 2.307 270 V HA -0.198 3.923 4.120 0.002 0.000 0.245 270 V C 2.417 178.514 176.094 0.005 0.000 1.045 270 V CA 1.676 63.974 62.300 -0.003 0.000 1.024 270 V CB -0.209 31.621 31.823 0.013 0.000 0.651 270 V HN 0.382 nan 8.190 nan 0.000 0.449 271 E N -0.263 119.945 120.200 0.014 0.000 2.051 271 E HA -0.254 4.097 4.350 0.002 0.000 0.192 271 E C 2.138 178.671 176.600 -0.112 0.000 0.991 271 E CA 1.612 58.002 56.400 -0.017 0.000 0.799 271 E CB -0.134 29.598 29.700 0.054 0.000 0.748 271 E HN 0.475 nan 8.360 nan 0.000 0.449 272 I N 0.745 121.257 120.570 -0.096 0.000 2.493 272 I HA -0.175 3.996 4.170 0.002 0.000 0.254 272 I C 1.981 178.034 176.117 -0.107 0.000 1.160 272 I CA 1.353 62.563 61.300 -0.149 0.000 1.445 272 I CB -0.194 37.766 38.000 -0.068 0.000 1.086 272 I HN 0.079 nan 8.210 nan 0.000 0.433 273 T N 0.031 114.553 114.554 -0.053 0.000 2.812 273 T HA -0.119 4.232 4.350 0.002 0.000 0.264 273 T C 1.724 176.495 174.700 0.119 0.000 1.042 273 T CA 1.461 63.572 62.100 0.020 0.000 1.140 273 T CB -0.180 68.700 68.868 0.020 0.000 0.870 273 T HN 0.432 nan 8.240 nan 0.000 0.445 274 E N 0.907 121.147 120.200 0.065 0.000 2.051 274 E HA -0.051 4.300 4.350 0.002 0.000 0.192 274 E C 2.197 178.838 176.600 0.068 0.000 0.991 274 E CA 0.850 57.298 56.400 0.079 0.000 0.799 274 E CB -0.308 29.413 29.700 0.036 0.000 0.748 274 E HN 0.379 nan 8.360 nan 0.000 0.449 275 L N 0.419 121.635 121.223 -0.012 0.000 2.046 275 L HA -0.246 4.095 4.340 0.002 0.000 0.208 275 L C 2.605 179.533 176.870 0.097 0.000 1.077 275 L CA 0.845 55.695 54.840 0.016 0.000 0.747 275 L CB -0.378 41.585 42.059 -0.161 0.000 0.896 275 L HN 0.332 nan 8.230 nan 0.000 0.432 276 C N -0.126 119.190 119.300 0.027 0.000 2.432 276 C HA -0.157 4.304 4.460 0.002 0.000 0.277 276 C C 2.705 177.859 174.990 0.273 0.000 1.249 276 C CA 0.510 59.554 59.018 0.044 0.000 1.725 276 C CB -0.654 26.995 27.740 -0.151 0.000 2.028 276 C HN 0.430 nan 8.230 nan 0.000 0.477 277 I N 0.472 121.249 120.570 0.345 0.000 2.226 277 I HA -0.268 3.903 4.170 0.002 0.000 0.245 277 I C 2.764 178.977 176.117 0.160 0.000 1.100 277 I CA 1.603 63.080 61.300 0.294 0.000 1.374 277 I CB -0.773 37.363 38.000 0.226 0.000 1.057 277 I HN 0.492 nan 8.210 nan 0.000 0.413 278 Q N 0.819 120.704 119.800 0.141 0.000 2.096 278 Q HA -0.251 4.090 4.340 0.002 0.000 0.204 278 Q C 1.265 177.253 176.000 -0.021 0.000 0.982 278 Q CA 1.760 57.598 55.803 0.058 0.000 0.850 278 Q CB -0.051 28.734 28.738 0.078 0.000 0.901 278 Q HN 0.569 nan 8.270 nan 0.000 0.422 279 H N -1.323 117.736 119.070 -0.018 0.000 2.645 279 H HA 0.262 4.819 4.556 0.002 0.000 0.300 279 H C 0.567 175.871 175.328 -0.041 0.000 1.065 279 H CA 0.717 56.727 56.048 -0.063 0.000 1.173 279 H CB 0.302 29.980 29.762 -0.140 0.000 1.383 279 H HN 0.536 nan 8.280 nan 0.000 0.566 280 G N -0.479 108.363 108.800 0.070 0.000 2.141 280 G HA2 -0.266 3.695 3.960 0.002 0.000 0.231 280 G HA3 -0.266 3.695 3.960 0.002 0.000 0.231 280 G C -0.086 174.884 174.900 0.118 0.000 0.984 280 G CA -0.077 45.054 45.100 0.050 0.000 0.660 280 G HN 0.432 nan 8.290 nan 0.000 0.525 281 W N 2.077 123.361 121.300 -0.027 0.000 2.287 281 W HA 0.654 5.315 4.660 0.002 0.000 0.313 281 W C 0.244 176.758 176.519 -0.007 0.000 1.267 281 W CA -0.071 57.261 57.345 -0.022 0.000 1.201 281 W CB 0.944 30.398 29.460 -0.009 0.000 1.196 281 W HN 0.047 nan 8.180 nan 0.000 0.536 282 T N 9.632 123.853 114.554 -0.554 0.000 2.747 282 T HA 0.202 4.553 4.350 0.002 0.000 0.301 282 T C -2.000 171.969 174.700 -1.218 0.000 0.952 282 T CA -0.872 60.859 62.100 -0.615 0.000 0.983 282 T CB 0.380 69.042 68.868 -0.343 0.000 0.930 282 T HN 0.249 nan 8.240 nan 0.000 0.494 283 P HA 0.372 nan 4.420 nan 0.000 0.274 283 P C 0.343 177.254 177.300 -0.648 0.000 1.256 283 P CA -0.293 62.082 63.100 -1.210 0.000 0.795 283 P CB 1.025 32.372 31.700 -0.588 0.000 1.038 284 G N 0.391 108.948 108.800 -0.404 0.000 2.940 284 G HA2 0.348 4.309 3.960 0.002 0.000 0.164 284 G HA3 0.348 4.309 3.960 0.002 0.000 0.164 284 G C 0.077 174.711 174.900 -0.443 0.000 1.326 284 G CA -0.496 44.462 45.100 -0.238 0.000 1.020 284 G HN 0.722 nan 8.290 nan 0.000 0.586 285 N N -0.543 118.046 118.700 -0.185 0.000 2.453 285 N HA 0.189 4.930 4.740 0.002 0.000 0.267 285 N C 0.171 175.721 175.510 0.065 0.000 1.482 285 N CA 0.067 53.005 53.050 -0.186 0.000 0.841 285 N CB 0.463 38.836 38.487 -0.191 0.000 1.408 285 N HN 0.695 nan 8.380 nan 0.000 0.490 286 G N 0.266 109.188 108.800 0.202 0.000 2.521 286 G HA2 0.366 4.327 3.960 0.002 0.000 0.323 286 G HA3 0.366 4.327 3.960 0.002 0.000 0.323 286 G C 0.623 175.614 174.900 0.152 0.000 1.211 286 G CA -0.468 44.734 45.100 0.169 0.000 0.979 286 G HN 0.010 nan 8.290 nan 0.000 0.490 287 R N -0.740 119.759 120.500 -0.002 0.000 2.200 287 R HA 0.086 4.427 4.340 0.002 0.000 0.208 287 R C -0.083 175.866 176.300 -0.584 0.000 1.033 287 R CA 0.515 56.440 56.100 -0.292 0.000 1.000 287 R CB -0.143 29.876 30.300 -0.468 0.000 0.906 287 R HN 0.438 nan 8.270 nan 0.000 0.462 288 F N 1.068 120.990 119.950 -0.046 0.000 2.597 288 F HA 0.270 4.798 4.527 0.002 0.000 0.336 288 F C -0.537 175.287 175.800 0.040 0.000 1.432 288 F CA -1.224 56.546 58.000 -0.383 0.000 1.120 288 F CB 0.625 39.213 39.000 -0.686 0.000 1.253 288 F HN -0.374 nan 8.300 nan 0.000 0.546 289 D N 1.596 122.202 120.400 0.343 0.000 2.347 289 D HA 0.207 4.848 4.640 0.002 0.000 0.235 289 D C 0.152 176.714 176.300 0.437 0.000 1.149 289 D CA 0.057 54.304 54.000 0.411 0.000 0.850 289 D CB 2.158 43.241 40.800 0.472 0.000 1.061 289 D HN -0.044 nan 8.370 nan 0.000 0.487 290 V N 3.813 123.946 119.914 0.365 0.000 2.540 290 V HA -0.012 4.109 4.120 0.002 0.000 0.297 290 V C 1.004 177.109 176.094 0.018 0.000 1.024 290 V CA -0.141 62.241 62.300 0.137 0.000 1.105 290 V CB 0.255 32.108 31.823 0.051 0.000 0.938 290 V HN 0.342 nan 8.190 nan 0.000 0.482 291 L N 8.084 129.211 121.223 -0.161 0.000 2.436 291 L HA 0.403 4.744 4.340 0.002 0.000 0.265 291 L C -1.753 174.876 176.870 -0.403 0.000 1.168 291 L CA -1.426 53.161 54.840 -0.422 0.000 0.815 291 L CB 1.170 42.993 42.059 -0.394 0.000 1.109 291 L HN 0.493 nan 8.230 nan 0.000 0.462 292 P HA 0.277 nan 4.420 nan 0.000 0.282 292 P C -1.124 176.006 177.300 -0.283 0.000 1.259 292 P CA -0.593 62.276 63.100 -0.385 0.000 0.826 292 P CB 1.194 32.577 31.700 -0.529 0.000 1.064 293 L N 1.291 122.440 121.223 -0.125 0.000 2.350 293 L HA 0.361 4.702 4.340 0.002 0.000 0.275 293 L C 0.594 177.426 176.870 -0.062 0.000 1.099 293 L CA -0.641 54.168 54.840 -0.052 0.000 0.808 293 L CB 0.311 42.408 42.059 0.064 0.000 1.149 293 L HN 0.217 nan 8.230 nan 0.000 0.442 294 L N 4.832 126.002 121.223 -0.088 0.000 2.313 294 L HA 0.439 4.780 4.340 0.002 0.000 0.273 294 L C -0.681 176.084 176.870 -0.174 0.000 1.028 294 L CA -0.243 54.458 54.840 -0.231 0.000 0.871 294 L CB 0.866 42.699 42.059 -0.378 0.000 1.242 294 L HN 0.453 nan 8.230 nan 0.000 0.434 295 L N 3.614 124.805 121.223 -0.054 0.000 2.289 295 L HA 0.480 4.821 4.340 0.002 0.000 0.285 295 L C -0.143 176.669 176.870 -0.096 0.000 1.049 295 L CA -0.301 54.527 54.840 -0.020 0.000 0.804 295 L CB 1.652 43.734 42.059 0.038 0.000 1.195 295 L HN 0.555 nan 8.230 nan 0.000 0.428 296 Q N 2.543 122.299 119.800 -0.074 0.000 2.325 296 Q HA 0.662 5.003 4.340 0.002 0.000 0.270 296 Q C -1.125 174.822 176.000 -0.087 0.000 1.020 296 Q CA -0.594 55.160 55.803 -0.081 0.000 0.785 296 Q CB 2.174 30.919 28.738 0.012 0.000 1.259 296 Q HN 0.789 nan 8.270 nan 0.000 0.452 297 A N 4.940 127.663 122.820 -0.162 0.000 2.279 297 A HA 0.651 4.972 4.320 0.002 0.000 0.303 297 A C -2.431 174.899 177.584 -0.423 0.000 1.108 297 A CA -1.708 50.087 52.037 -0.403 0.000 0.830 297 A CB 0.242 19.118 19.000 -0.208 0.000 1.106 297 A HN 0.626 nan 8.150 nan 0.000 0.493 298 P HA -0.020 nan 4.420 nan 0.000 0.259 298 P C -0.474 176.725 177.300 -0.168 0.000 1.163 298 P CA 0.965 63.848 63.100 -0.362 0.000 0.760 298 P CB 0.104 31.582 31.700 -0.370 0.000 0.762 299 D N -0.116 120.232 120.400 -0.087 0.000 3.018 299 D HA -0.185 4.456 4.640 0.002 0.000 0.224 299 D C 0.065 176.350 176.300 -0.025 0.000 1.185 299 D CA 1.324 55.305 54.000 -0.032 0.000 0.858 299 D CB -0.383 40.403 40.800 -0.025 0.000 1.112 299 D HN 0.474 nan 8.370 nan 0.000 0.415 300 E N -0.452 119.721 120.200 -0.045 0.000 2.235 300 E HA 0.666 5.017 4.350 0.002 0.000 0.265 300 E C 0.201 176.786 176.600 -0.025 0.000 0.940 300 E CA -0.662 55.716 56.400 -0.037 0.000 0.819 300 E CB 1.581 31.246 29.700 -0.058 0.000 1.206 300 E HN 0.143 nan 8.360 nan 0.000 0.409 301 A N 2.905 125.711 122.820 -0.024 0.000 2.386 301 A HA 0.384 4.705 4.320 0.002 0.000 0.248 301 A C -2.009 175.490 177.584 -0.143 0.000 1.082 301 A CA -0.954 51.065 52.037 -0.030 0.000 0.789 301 A CB -0.444 18.556 19.000 0.002 0.000 1.025 301 A HN 0.316 nan 8.150 nan 0.000 0.490 302 P HA 0.226 nan 4.420 nan 0.000 0.272 302 P C -0.729 176.348 177.300 -0.370 0.000 1.223 302 P CA 0.082 62.850 63.100 -0.555 0.000 0.784 302 P CB 0.757 31.646 31.700 -1.351 0.000 0.923 303 E N 0.548 120.562 120.200 -0.310 0.000 2.227 303 E HA 0.438 4.789 4.350 0.002 0.000 0.268 303 E C -0.794 175.480 176.600 -0.544 0.000 0.907 303 E CA -1.096 55.077 56.400 -0.379 0.000 0.786 303 E CB 1.676 31.153 29.700 -0.372 0.000 1.191 303 E HN 0.281 nan 8.360 nan 0.000 0.411 304 L N 2.757 123.609 121.223 -0.619 0.000 2.305 304 L HA 0.380 4.721 4.340 0.002 0.000 0.281 304 L C -1.467 174.874 176.870 -0.881 0.000 1.085 304 L CA 0.240 54.756 54.840 -0.540 0.000 0.813 304 L CB 0.143 42.026 42.059 -0.294 0.000 1.157 304 L HN 0.420 nan 8.230 nan 0.000 0.436 305 F N 4.011 123.731 119.950 -0.384 0.000 2.579 305 F HA 0.378 4.906 4.527 0.002 0.000 0.325 305 F C -0.342 175.192 175.800 -0.443 0.000 1.162 305 F CA -0.838 56.778 58.000 -0.641 0.000 0.946 305 F CB 1.594 39.864 39.000 -1.216 0.000 1.211 305 F HN -0.024 nan 8.300 nan 0.000 0.447 306 V N 4.939 124.775 119.914 -0.130 0.000 2.455 306 V HA 0.193 4.314 4.120 0.002 0.000 0.273 306 V C 0.332 176.531 176.094 0.176 0.000 1.045 306 V CA -0.555 61.757 62.300 0.020 0.000 0.976 306 V CB 1.100 32.972 31.823 0.082 0.000 0.993 306 V HN 0.541 nan 8.190 nan 0.000 0.475 307 L N 7.916 129.253 121.223 0.191 0.000 2.410 307 L HA 0.248 4.589 4.340 0.002 0.000 0.273 307 L C -2.019 174.953 176.870 0.169 0.000 1.144 307 L CA -1.433 53.555 54.840 0.247 0.000 0.863 307 L CB 0.610 42.742 42.059 0.121 0.000 1.140 307 L HN 0.456 nan 8.230 nan 0.000 0.463 308 P HA 0.034 nan 4.420 nan 0.000 0.262 308 P C -1.977 175.364 177.300 0.069 0.000 1.199 308 P CA -0.841 62.324 63.100 0.108 0.000 0.763 308 P CB 0.393 32.140 31.700 0.078 0.000 0.790 309 P HA -0.269 nan 4.420 nan 0.000 0.217 309 P C 1.440 178.762 177.300 0.038 0.000 1.158 309 P CA 1.523 64.657 63.100 0.057 0.000 0.887 309 P CB -0.193 31.544 31.700 0.061 0.000 0.792 310 E N -0.102 120.117 120.200 0.031 0.000 2.333 310 E HA -0.158 4.193 4.350 0.002 0.000 0.198 310 E C 1.794 178.400 176.600 0.010 0.000 1.007 310 E CA 1.101 57.511 56.400 0.018 0.000 0.845 310 E CB -1.147 28.561 29.700 0.014 0.000 0.766 310 E HN 0.325 nan 8.360 nan 0.000 0.507 311 L N 0.750 121.979 121.223 0.010 0.000 2.270 311 L HA 0.055 4.396 4.340 0.002 0.000 0.210 311 L C 0.908 177.779 176.870 0.002 0.000 1.104 311 L CA 0.189 55.028 54.840 -0.001 0.000 0.804 311 L CB 0.326 42.376 42.059 -0.016 0.000 0.937 311 L HN -0.098 nan 8.230 nan 0.000 0.450 312 V N 2.443 122.361 119.914 0.006 0.000 2.299 312 V HA 0.086 4.207 4.120 0.002 0.000 0.255 312 V C 0.108 176.215 176.094 0.022 0.000 1.100 312 V CA -0.466 61.834 62.300 0.001 0.000 0.938 312 V CB 0.677 32.489 31.823 -0.018 0.000 1.139 312 V HN 0.065 nan 8.190 nan 0.000 0.490 313 L N 5.488 126.729 121.223 0.029 0.000 2.418 313 L HA 0.363 4.704 4.340 0.002 0.000 0.274 313 L C 0.232 177.126 176.870 0.039 0.000 1.135 313 L CA 0.762 55.614 54.840 0.021 0.000 0.870 313 L CB 0.161 42.229 42.059 0.013 0.000 1.154 313 L HN 0.628 nan 8.230 nan 0.000 0.462 314 E N 3.293 123.499 120.200 0.010 0.000 2.277 314 E HA 0.598 4.949 4.350 0.002 0.000 0.266 314 E C -1.423 175.120 176.600 -0.095 0.000 0.901 314 E CA -1.006 55.401 56.400 0.012 0.000 0.782 314 E CB 2.439 32.177 29.700 0.063 0.000 1.228 314 E HN 0.374 nan 8.360 nan 0.000 0.424 315 V N 3.221 123.044 119.914 -0.152 0.000 2.407 315 V HA 0.327 4.448 4.120 0.002 0.000 0.291 315 V C -2.291 173.738 176.094 -0.107 0.000 1.018 315 V CA -1.883 60.269 62.300 -0.247 0.000 0.842 315 V CB 1.306 32.720 31.823 -0.682 0.000 0.996 315 V HN 0.550 nan 8.190 nan 0.000 0.426 316 P HA 0.304 nan 4.420 nan 0.000 0.281 316 P C -0.761 176.549 177.300 0.016 0.000 1.252 316 P CA -0.194 62.880 63.100 -0.044 0.000 0.778 316 P CB 1.171 32.852 31.700 -0.032 0.000 0.895 317 L N 3.854 125.122 121.223 0.075 0.000 2.305 317 L HA 0.395 4.736 4.340 0.002 0.000 0.281 317 L C 1.145 178.175 176.870 0.267 0.000 1.085 317 L CA -0.079 54.866 54.840 0.176 0.000 0.813 317 L CB 0.313 42.539 42.059 0.278 0.000 1.157 317 L HN 0.499 nan 8.230 nan 0.000 0.436 318 E N 1.847 122.156 120.200 0.181 0.000 2.408 318 E HA 0.398 4.749 4.350 0.002 0.000 0.275 318 E C -1.357 175.231 176.600 -0.020 0.000 0.935 318 E CA -0.962 55.553 56.400 0.191 0.000 0.775 318 E CB 2.216 32.010 29.700 0.155 0.000 1.277 318 E HN 0.475 nan 8.360 nan 0.000 0.455 319 H N 1.619 120.536 119.070 -0.255 0.000 2.479 319 H HA 0.224 4.781 4.556 0.002 0.000 0.335 319 H C -1.688 173.335 175.328 -0.507 0.000 1.142 319 H CA -2.210 53.542 56.048 -0.495 0.000 1.234 319 H CB 1.992 31.390 29.762 -0.605 0.000 1.503 319 H HN 0.436 nan 8.280 nan 0.000 0.510 320 P HA -0.109 nan 4.420 nan 0.000 0.220 320 P C 0.935 178.026 177.300 -0.348 0.000 1.148 320 P CA 1.573 64.101 63.100 -0.953 0.000 0.803 320 P CB 0.452 31.567 31.700 -0.974 0.000 0.782 321 T N -4.478 110.034 114.554 -0.071 0.000 2.964 321 T HA 0.210 4.561 4.350 0.002 0.000 0.250 321 T C 0.823 175.512 174.700 -0.020 0.000 0.982 321 T CA -0.203 61.903 62.100 0.011 0.000 0.959 321 T CB -0.544 68.344 68.868 0.033 0.000 1.141 321 T HN -0.068 nan 8.240 nan 0.000 0.494 322 L N 3.559 124.741 121.223 -0.069 0.000 2.312 322 L HA 0.399 4.740 4.340 0.002 0.000 0.287 322 L C 1.609 178.159 176.870 -0.533 0.000 1.091 322 L CA -0.613 53.904 54.840 -0.539 0.000 0.846 322 L CB 0.943 42.307 42.059 -1.157 0.000 1.219 322 L HN 0.334 nan 8.230 nan 0.000 0.439 323 E N 3.560 123.583 120.200 -0.295 0.000 2.118 323 E HA -0.247 4.104 4.350 0.002 0.000 0.195 323 E C 1.672 178.233 176.600 -0.065 0.000 0.992 323 E CA 1.519 57.851 56.400 -0.112 0.000 0.804 323 E CB -0.213 29.495 29.700 0.012 0.000 0.741 323 E HN 0.755 nan 8.360 nan 0.000 0.458 324 W N -0.260 121.095 121.300 0.093 0.000 2.825 324 W HA 0.088 4.749 4.660 0.002 0.000 0.243 324 W C 1.063 177.632 176.519 0.083 0.000 1.293 324 W CA -0.210 57.175 57.345 0.068 0.000 1.403 324 W CB -0.794 28.683 29.460 0.027 0.000 1.134 324 W HN -0.019 nan 8.180 nan 0.000 0.666 325 F N 2.920 122.648 119.950 -0.370 0.000 2.134 325 F HA -0.072 4.456 4.527 0.002 0.000 0.299 325 F C 2.726 178.545 175.800 0.032 0.000 1.097 325 F CA 2.794 60.675 58.000 -0.198 0.000 1.264 325 F CB -0.699 38.078 39.000 -0.371 0.000 1.001 325 F HN -0.080 nan 8.300 nan 0.000 0.479 326 A N 0.207 123.171 122.820 0.240 0.000 1.948 326 A HA -0.166 4.155 4.320 0.002 0.000 0.220 326 A C 2.341 179.999 177.584 0.122 0.000 1.177 326 A CA 1.778 53.925 52.037 0.183 0.000 0.636 326 A CB -1.542 17.535 19.000 0.129 0.000 0.815 326 A HN 0.454 nan 8.150 nan 0.000 0.449 327 A N -0.496 122.400 122.820 0.127 0.000 2.125 327 A HA 0.025 4.346 4.320 0.002 0.000 0.219 327 A C 1.964 179.596 177.584 0.080 0.000 1.156 327 A CA 1.241 53.344 52.037 0.110 0.000 0.671 327 A CB -0.565 18.521 19.000 0.143 0.000 0.794 327 A HN 0.506 nan 8.150 nan 0.000 0.459 328 L N -1.340 119.907 121.223 0.040 0.000 2.362 328 L HA 0.002 4.343 4.340 0.002 0.000 0.219 328 L C 1.955 178.858 176.870 0.054 0.000 1.134 328 L CA 0.691 55.529 54.840 -0.003 0.000 0.807 328 L CB -0.468 41.486 42.059 -0.175 0.000 0.927 328 L HN 0.591 nan 8.230 nan 0.000 0.447 329 G N -0.350 108.490 108.800 0.066 0.000 2.168 329 G HA2 -0.269 3.692 3.960 0.002 0.000 0.263 329 G HA3 -0.269 3.692 3.960 0.002 0.000 0.263 329 G C 0.161 175.096 174.900 0.058 0.000 0.977 329 G CA -0.167 44.985 45.100 0.087 0.000 0.659 329 G HN 0.100 nan 8.290 nan 0.000 0.533 330 L N 0.560 121.806 121.223 0.038 0.000 2.467 330 L HA 0.657 4.998 4.340 0.002 0.000 0.270 330 L C 1.126 177.820 176.870 -0.293 0.000 1.205 330 L CA 0.454 55.245 54.840 -0.081 0.000 0.828 330 L CB 0.502 42.613 42.059 0.086 0.000 1.101 330 L HN 0.721 nan 8.230 nan 0.000 0.479 331 R N 1.750 121.858 120.500 -0.654 0.000 2.687 331 R HA 0.456 4.797 4.340 0.002 0.000 0.265 331 R C -2.009 174.162 176.300 -0.216 0.000 1.048 331 R CA -0.938 54.921 56.100 -0.401 0.000 0.884 331 R CB 1.162 31.179 30.300 -0.472 0.000 1.258 331 R HN 0.597 nan 8.270 nan 0.000 0.469 332 W N 2.875 124.111 121.300 -0.108 0.000 3.167 332 W HA 0.355 5.016 4.660 0.002 0.000 0.324 332 W C -0.975 175.637 176.519 0.154 0.000 1.230 332 W CA -1.048 56.339 57.345 0.070 0.000 1.184 332 W CB 1.934 31.368 29.460 -0.044 0.000 1.414 332 W HN 0.708 nan 8.180 nan 0.000 0.551 333 Y N 1.215 121.455 120.300 -0.100 0.000 2.357 333 Y HA 0.479 5.030 4.550 0.002 0.000 0.340 333 Y C 0.813 176.945 175.900 0.386 0.000 1.260 333 Y CA 0.328 58.447 58.100 0.031 0.000 1.425 333 Y CB 0.098 38.450 38.460 -0.180 0.000 1.326 333 Y HN 0.343 nan 8.280 nan 0.000 0.580 334 A N 1.759 124.846 122.820 0.445 0.000 1.984 334 A HA 0.115 4.436 4.320 0.002 0.000 0.214 334 A C 0.454 178.357 177.584 0.531 0.000 1.173 334 A CA 0.192 52.520 52.037 0.485 0.000 0.673 334 A CB -0.248 18.868 19.000 0.194 0.000 0.830 334 A HN 0.669 nan 8.150 nan 0.000 0.453 335 L N 2.109 123.596 121.223 0.440 0.000 2.255 335 L HA 0.413 4.754 4.340 0.002 0.000 0.289 335 L C -2.554 174.443 176.870 0.211 0.000 1.046 335 L CA -2.107 52.892 54.840 0.265 0.000 0.816 335 L CB 1.526 43.677 42.059 0.153 0.000 1.197 335 L HN -0.016 nan 8.230 nan 0.000 0.427 336 P HA 0.348 nan 4.420 nan 0.000 0.291 336 P C -1.506 175.696 177.300 -0.164 0.000 1.378 336 P CA -0.348 62.594 63.100 -0.262 0.000 0.853 336 P CB 1.348 32.507 31.700 -0.903 0.000 1.002 337 A N 4.411 127.146 122.820 -0.143 0.000 2.410 337 A HA 0.446 4.767 4.320 0.002 0.000 0.289 337 A C -0.331 177.036 177.584 -0.361 0.000 1.200 337 A CA -0.668 51.216 52.037 -0.255 0.000 0.751 337 A CB 1.010 19.883 19.000 -0.212 0.000 1.161 337 A HN 0.289 nan 8.150 nan 0.000 0.459 338 V N 2.972 122.494 119.914 -0.653 0.000 2.488 338 V HA 0.321 4.442 4.120 0.002 0.000 0.277 338 V C 1.172 176.865 176.094 -0.668 0.000 1.046 338 V CA 1.008 62.905 62.300 -0.672 0.000 0.986 338 V CB 1.260 32.552 31.823 -0.885 0.000 0.989 338 V HN 1.120 nan 8.190 nan 0.000 0.475 339 S N 1.809 117.332 115.700 -0.295 0.000 2.819 339 S HA 0.077 4.548 4.470 0.002 0.000 0.249 339 S C 0.701 175.301 174.600 -0.000 0.000 1.030 339 S CA 0.031 58.149 58.200 -0.138 0.000 1.052 339 S CB -0.412 62.737 63.200 -0.085 0.000 1.017 339 S HN 0.905 nan 8.310 nan 0.000 0.576 340 N N 0.275 118.983 118.700 0.013 0.000 2.184 340 N HA 0.290 5.031 4.740 0.002 0.000 0.206 340 N C 0.170 175.753 175.510 0.123 0.000 1.151 340 N CA -0.495 52.603 53.050 0.079 0.000 0.878 340 N CB 0.158 38.692 38.487 0.078 0.000 1.014 340 N HN 0.277 nan 8.380 nan 0.000 0.512 341 M N 1.490 121.186 119.600 0.161 0.000 2.359 341 M HA 0.315 4.796 4.480 0.002 0.000 0.322 341 M C -0.589 175.870 176.300 0.266 0.000 1.166 341 M CA -0.759 54.678 55.300 0.228 0.000 1.067 341 M CB 2.405 35.178 32.600 0.287 0.000 1.523 341 M HN 0.118 nan 8.290 nan 0.000 0.467 342 L N 3.099 124.448 121.223 0.211 0.000 2.289 342 L HA 0.484 4.825 4.340 0.002 0.000 0.285 342 L C -1.275 175.688 176.870 0.155 0.000 1.049 342 L CA -0.869 54.076 54.840 0.175 0.000 0.804 342 L CB 1.045 43.159 42.059 0.093 0.000 1.195 342 L HN 0.569 nan 8.230 nan 0.000 0.428 343 L N 5.402 126.712 121.223 0.144 0.000 2.264 343 L HA 0.441 4.782 4.340 0.002 0.000 0.289 343 L C -0.462 176.413 176.870 0.009 0.000 1.044 343 L CA 0.267 55.055 54.840 -0.085 0.000 0.807 343 L CB 1.138 43.107 42.059 -0.149 0.000 1.192 343 L HN 0.637 nan 8.230 nan 0.000 0.425 344 E N 6.648 126.772 120.200 -0.128 0.000 2.145 344 E HA 0.398 4.749 4.350 0.002 0.000 0.270 344 E C -1.584 174.927 176.600 -0.148 0.000 0.906 344 E CA -0.446 55.901 56.400 -0.088 0.000 0.761 344 E CB 1.109 30.753 29.700 -0.092 0.000 1.116 344 E HN 0.726 nan 8.360 nan 0.000 0.408 345 I N 2.666 123.162 120.570 -0.124 0.000 2.468 345 I HA 0.272 4.443 4.170 0.002 0.000 0.285 345 I C 0.817 176.717 176.117 -0.362 0.000 1.039 345 I CA -0.719 60.374 61.300 -0.346 0.000 1.074 345 I CB 1.956 39.700 38.000 -0.427 0.000 1.228 345 I HN 0.801 nan 8.210 nan 0.000 0.436 346 G N 4.171 112.776 108.800 -0.324 0.000 2.321 346 G HA2 -0.139 3.822 3.960 0.002 0.000 0.287 346 G HA3 -0.139 3.822 3.960 0.002 0.000 0.287 346 G C 1.012 175.989 174.900 0.127 0.000 1.018 346 G CA 0.782 45.894 45.100 0.020 0.000 0.855 346 G HN 1.573 nan 8.290 nan 0.000 0.507 347 G N -2.070 106.744 108.800 0.024 0.000 2.217 347 G HA2 -0.221 3.740 3.960 0.002 0.000 0.246 347 G HA3 -0.221 3.740 3.960 0.002 0.000 0.246 347 G C 0.458 175.315 174.900 -0.071 0.000 0.990 347 G CA 0.405 45.519 45.100 0.024 0.000 0.627 347 G HN 1.277 nan 8.290 nan 0.000 0.522 348 L N 0.870 121.995 121.223 -0.164 0.000 2.334 348 L HA 0.620 4.961 4.340 0.002 0.000 0.277 348 L C 0.229 176.848 176.870 -0.417 0.000 1.075 348 L CA -0.496 54.121 54.840 -0.373 0.000 0.804 348 L CB 1.218 42.963 42.059 -0.524 0.000 1.174 348 L HN 0.199 nan 8.230 nan 0.000 0.438 349 E N 2.556 122.430 120.200 -0.542 0.000 2.187 349 E HA 0.424 4.775 4.350 0.002 0.000 0.268 349 E C -1.515 174.720 176.600 -0.609 0.000 0.896 349 E CA -0.419 55.742 56.400 -0.398 0.000 0.766 349 E CB 1.845 31.425 29.700 -0.201 0.000 1.142 349 E HN 0.267 nan 8.360 nan 0.000 0.408 350 F N 1.828 121.749 119.950 -0.048 0.000 2.359 350 F HA 0.119 4.647 4.527 0.002 0.000 0.369 350 F C 1.398 177.235 175.800 0.063 0.000 1.084 350 F CA -0.608 57.392 58.000 0.000 0.000 1.096 350 F CB 1.230 40.211 39.000 -0.031 0.000 1.335 350 F HN 0.452 nan 8.300 nan 0.000 0.457 351 S N 1.262 117.064 115.700 0.170 0.000 2.500 351 S HA 0.146 4.617 4.470 0.002 0.000 0.239 351 S C 0.799 175.534 174.600 0.225 0.000 0.989 351 S CA 0.453 58.754 58.200 0.169 0.000 0.951 351 S CB -0.031 63.248 63.200 0.132 0.000 0.759 351 S HN 0.521 nan 8.310 nan 0.000 0.523 352 A N 0.380 123.378 122.820 0.297 0.000 2.522 352 A HA 0.815 5.136 4.320 0.002 0.000 0.285 352 A C -0.230 177.611 177.584 0.428 0.000 1.198 352 A CA -0.147 52.094 52.037 0.340 0.000 0.742 352 A CB 0.896 20.079 19.000 0.304 0.000 1.176 352 A HN 1.009 nan 8.150 nan 0.000 0.444 353 A N 4.069 127.093 122.820 0.339 0.000 3.307 353 A HA 0.645 4.966 4.320 0.002 0.000 0.289 353 A C -3.012 174.741 177.584 0.281 0.000 1.138 353 A CA -0.973 51.223 52.037 0.264 0.000 0.860 353 A CB 0.437 19.583 19.000 0.242 0.000 1.318 353 A HN 0.500 nan 8.150 nan 0.000 0.551 354 P HA 0.383 nan 4.420 nan 0.000 0.268 354 P C -0.743 176.579 177.300 0.037 0.000 1.204 354 P CA 0.500 63.572 63.100 -0.046 0.000 0.768 354 P CB 0.219 31.828 31.700 -0.152 0.000 0.842 355 F N -0.060 119.833 119.950 -0.095 0.000 2.588 355 F HA 0.792 5.320 4.527 0.002 0.000 0.314 355 F C -0.567 175.156 175.800 -0.129 0.000 1.069 355 F CA -1.125 56.819 58.000 -0.094 0.000 0.931 355 F CB 1.778 40.600 39.000 -0.297 0.000 1.260 355 F HN 0.426 nan 8.300 nan 0.000 0.465 356 S N 0.306 116.081 115.700 0.124 0.000 2.550 356 S HA 0.934 5.405 4.470 0.002 0.000 0.270 356 S C -0.837 173.712 174.600 -0.085 0.000 1.145 356 S CA -0.179 58.026 58.200 0.009 0.000 0.852 356 S CB 1.422 64.704 63.200 0.136 0.000 1.119 356 S HN 1.529 nan 8.310 nan 0.000 0.465 357 G N -0.015 108.695 108.800 -0.151 0.000 3.354 357 G HA2 0.732 4.693 3.960 0.002 0.000 0.174 357 G HA3 0.732 4.693 3.960 0.002 0.000 0.174 357 G C -1.620 173.274 174.900 -0.010 0.000 1.140 357 G CA -0.365 44.578 45.100 -0.260 0.000 0.897 357 G HN 1.111 nan 8.290 nan 0.000 0.685 358 W N -1.334 119.979 121.300 0.021 0.000 2.882 358 W HA 0.823 5.484 4.660 0.002 0.000 0.345 358 W C -1.490 175.053 176.519 0.040 0.000 1.125 358 W CA -1.973 55.400 57.345 0.048 0.000 1.167 358 W CB 0.554 30.079 29.460 0.109 0.000 1.431 358 W HN 0.375 nan 8.180 nan 0.000 0.543 359 Y N 2.473 122.968 120.300 0.325 0.000 2.397 359 Y HA 0.256 4.807 4.550 0.002 0.000 0.335 359 Y C 0.734 176.701 175.900 0.110 0.000 1.213 359 Y CA -0.794 57.383 58.100 0.130 0.000 1.391 359 Y CB 1.115 39.571 38.460 -0.006 0.000 1.293 359 Y HN 0.441 nan 8.280 nan 0.000 0.557 360 M N 2.138 121.898 119.600 0.266 0.000 2.180 360 M HA 0.205 4.686 4.480 0.002 0.000 0.350 360 M C 1.037 177.330 176.300 -0.012 0.000 1.125 360 M CA -0.275 55.104 55.300 0.131 0.000 1.031 360 M CB 1.117 33.775 32.600 0.096 0.000 1.623 360 M HN 0.828 nan 8.290 nan 0.000 0.451 361 S N 1.312 116.966 115.700 -0.077 0.000 2.400 361 S HA -0.229 4.242 4.470 0.002 0.000 0.234 361 S C 1.473 175.925 174.600 -0.246 0.000 1.049 361 S CA 2.318 60.394 58.200 -0.206 0.000 1.039 361 S CB -1.507 61.616 63.200 -0.128 0.000 0.856 361 S HN 0.929 nan 8.310 nan 0.000 0.465 362 T N 0.052 114.489 114.554 -0.195 0.000 2.962 362 T HA 0.004 4.355 4.350 0.002 0.000 0.270 362 T C 1.531 176.067 174.700 -0.274 0.000 1.088 362 T CA 1.151 63.090 62.100 -0.267 0.000 1.127 362 T CB -0.538 68.133 68.868 -0.329 0.000 0.883 362 T HN 0.607 nan 8.240 nan 0.000 0.493 363 E N 0.887 120.941 120.200 -0.244 0.000 2.110 363 E HA -0.028 4.323 4.350 0.002 0.000 0.193 363 E C 1.989 178.308 176.600 -0.469 0.000 0.988 363 E CA 1.286 57.540 56.400 -0.243 0.000 0.804 363 E CB -0.266 29.415 29.700 -0.032 0.000 0.745 363 E HN 0.606 nan 8.360 nan 0.000 0.458 364 I N -0.040 120.127 120.570 -0.673 0.000 2.364 364 I HA -0.026 4.145 4.170 0.002 0.000 0.241 364 I C 2.573 178.333 176.117 -0.595 0.000 1.082 364 I CA 0.850 61.596 61.300 -0.923 0.000 1.401 364 I CB -0.493 36.874 38.000 -1.055 0.000 1.126 364 I HN 0.088 nan 8.210 nan 0.000 0.429 365 G N 0.299 108.853 108.800 -0.410 0.000 2.422 365 G HA2 -0.152 3.809 3.960 0.002 0.000 0.218 365 G HA3 -0.152 3.809 3.960 0.002 0.000 0.218 365 G C 1.596 176.376 174.900 -0.200 0.000 1.140 365 G CA 1.459 46.410 45.100 -0.248 0.000 0.775 365 G HN 0.296 nan 8.290 nan 0.000 0.545 366 T N 0.043 114.455 114.554 -0.236 0.000 2.990 366 T HA 0.099 4.450 4.350 0.002 0.000 0.237 366 T C 2.519 177.104 174.700 -0.192 0.000 1.009 366 T CA 0.250 62.232 62.100 -0.197 0.000 1.195 366 T CB 0.044 68.778 68.868 -0.223 0.000 0.885 366 T HN 0.001 nan 8.240 nan 0.000 0.424 367 R N 2.067 122.432 120.500 -0.225 0.000 2.064 367 R HA 0.119 4.460 4.340 0.002 0.000 0.228 367 R C 2.198 178.373 176.300 -0.208 0.000 1.144 367 R CA 1.158 57.136 56.100 -0.204 0.000 0.932 367 R CB -1.250 28.931 30.300 -0.198 0.000 0.833 367 R HN 0.334 nan 8.270 nan 0.000 0.429 368 N N 0.952 119.475 118.700 -0.295 0.000 2.120 368 N HA -0.093 4.648 4.740 0.002 0.000 0.188 368 N C 1.993 177.412 175.510 -0.152 0.000 1.024 368 N CA 1.116 53.987 53.050 -0.299 0.000 0.852 368 N CB -0.226 37.763 38.487 -0.830 0.000 1.003 368 N HN 0.194 nan 8.380 nan 0.000 0.424 369 L N -0.723 120.364 121.223 -0.226 0.000 2.354 369 L HA 0.084 4.425 4.340 0.002 0.000 0.212 369 L C 1.499 178.385 176.870 0.027 0.000 1.091 369 L CA 0.380 55.188 54.840 -0.053 0.000 0.828 369 L CB 0.185 42.184 42.059 -0.101 0.000 0.973 369 L HN 0.147 nan 8.230 nan 0.000 0.461 370 C N -1.584 117.693 119.300 -0.039 0.000 3.065 370 C HA 0.165 4.625 4.460 0.002 0.000 0.285 370 C C 0.759 175.730 174.990 -0.032 0.000 1.257 370 C CA -0.920 58.087 59.018 -0.019 0.000 1.691 370 C CB -0.365 27.350 27.740 -0.043 0.000 2.089 370 C HN 0.296 nan 8.230 nan 0.000 0.630 371 D N 2.198 122.552 120.400 -0.077 0.000 2.472 371 D HA 0.072 4.713 4.640 0.002 0.000 0.237 371 D C -1.440 174.835 176.300 -0.041 0.000 1.141 371 D CA -1.031 52.906 54.000 -0.104 0.000 0.875 371 D CB 0.629 41.233 40.800 -0.326 0.000 1.192 371 D HN 0.118 nan 8.370 nan 0.000 0.450 372 P HA -0.129 nan 4.420 nan 0.000 0.216 372 P C 0.712 178.093 177.300 0.135 0.000 1.153 372 P CA 1.249 64.425 63.100 0.128 0.000 0.848 372 P CB 0.005 31.804 31.700 0.165 0.000 0.787 373 H N -2.218 116.856 119.070 0.008 0.000 2.555 373 H HA 0.318 4.875 4.556 0.002 0.000 0.283 373 H C 0.865 176.196 175.328 0.004 0.000 1.037 373 H CA 0.094 56.145 56.048 0.004 0.000 1.169 373 H CB -0.215 29.552 29.762 0.007 0.000 1.375 373 H HN 0.005 nan 8.280 nan 0.000 0.582 374 R N -0.339 120.043 120.500 -0.196 0.000 2.845 374 R HA 0.177 4.518 4.340 0.002 0.000 0.112 374 R C 1.110 177.357 176.300 -0.089 0.000 1.012 374 R CA -0.711 55.309 56.100 -0.134 0.000 0.744 374 R CB -0.845 29.387 30.300 -0.113 0.000 0.926 374 R HN 0.100 nan 8.270 nan 0.000 0.376 375 Y N 1.668 121.968 120.300 -0.001 0.000 2.421 375 Y HA -0.024 4.527 4.550 0.002 0.000 0.292 375 Y C 0.639 176.551 175.900 0.020 0.000 1.136 375 Y CA 1.276 59.392 58.100 0.027 0.000 1.255 375 Y CB -0.244 38.267 38.460 0.085 0.000 0.991 375 Y HN 0.533 nan 8.280 nan 0.000 0.552 376 N N 0.906 119.680 118.700 0.124 0.000 2.669 376 N HA -0.223 4.518 4.740 0.002 0.000 0.266 376 N C 0.535 176.116 175.510 0.119 0.000 1.024 376 N CA 0.337 53.442 53.050 0.092 0.000 0.766 376 N CB -0.940 37.584 38.487 0.062 0.000 0.898 376 N HN 0.620 nan 8.380 nan 0.000 0.548 377 I N -2.820 117.830 120.570 0.134 0.000 3.860 377 I HA 0.023 4.194 4.170 0.002 0.000 0.319 377 I C 1.797 177.996 176.117 0.137 0.000 1.279 377 I CA -0.422 60.957 61.300 0.131 0.000 1.220 377 I CB -0.004 38.076 38.000 0.133 0.000 1.027 377 I HN 0.130 nan 8.210 nan 0.000 0.428 378 L N 2.818 124.127 121.223 0.144 0.000 1.991 378 L HA -0.277 4.064 4.340 0.002 0.000 0.221 378 L C 2.942 180.007 176.870 0.324 0.000 1.079 378 L CA 2.585 57.538 54.840 0.188 0.000 0.778 378 L CB -0.985 41.143 42.059 0.115 0.000 0.893 378 L HN 0.606 nan 8.230 nan 0.000 0.437 379 E N -1.197 119.223 120.200 0.366 0.000 2.153 379 E HA -0.227 4.124 4.350 0.002 0.000 0.194 379 E C 1.689 178.338 176.600 0.082 0.000 0.988 379 E CA 1.637 58.207 56.400 0.283 0.000 0.811 379 E CB -0.913 28.885 29.700 0.163 0.000 0.746 379 E HN 0.579 nan 8.360 nan 0.000 0.466 380 D N 0.932 121.376 120.400 0.072 0.000 2.097 380 D HA -0.092 4.549 4.640 0.002 0.000 0.195 380 D C 2.176 178.466 176.300 -0.018 0.000 0.989 380 D CA 1.624 55.628 54.000 0.006 0.000 0.827 380 D CB 0.229 41.041 40.800 0.019 0.000 0.966 380 D HN 0.118 nan 8.370 nan 0.000 0.456 381 V N 1.758 121.713 119.914 0.069 0.000 2.358 381 V HA -0.200 3.921 4.120 0.002 0.000 0.246 381 V C 2.603 178.759 176.094 0.105 0.000 1.047 381 V CA 1.626 64.009 62.300 0.137 0.000 1.035 381 V CB -0.699 31.281 31.823 0.262 0.000 0.658 381 V HN 0.145 nan 8.190 nan 0.000 0.452 382 A N -0.026 122.881 122.820 0.145 0.000 1.908 382 A HA -0.171 4.150 4.320 0.002 0.000 0.218 382 A C 2.392 179.951 177.584 -0.042 0.000 1.181 382 A CA 2.166 54.289 52.037 0.143 0.000 0.627 382 A CB -0.717 18.471 19.000 0.314 0.000 0.818 382 A HN 0.340 nan 8.150 nan 0.000 0.445 383 V N -0.961 118.878 119.914 -0.125 0.000 2.427 383 V HA -0.296 3.825 4.120 0.002 0.000 0.248 383 V C 2.605 178.524 176.094 -0.291 0.000 1.051 383 V CA 1.951 64.132 62.300 -0.199 0.000 1.048 383 V CB -0.992 30.719 31.823 -0.187 0.000 0.666 383 V HN 0.722 nan 8.190 nan 0.000 0.456 384 C N -0.515 118.527 119.300 -0.431 0.000 2.440 384 C HA -0.106 4.355 4.460 0.002 0.000 0.278 384 C C 2.721 177.177 174.990 -0.889 0.000 1.295 384 C CA 0.927 59.403 59.018 -0.904 0.000 1.738 384 C CB -0.888 25.928 27.740 -1.540 0.000 1.987 384 C HN 0.519 nan 8.230 nan 0.000 0.492 385 M N -0.050 119.310 119.600 -0.401 0.000 2.562 385 M HA -0.007 4.474 4.480 0.002 0.000 0.257 385 M C 0.489 176.759 176.300 -0.050 0.000 1.099 385 M CA 1.107 56.398 55.300 -0.015 0.000 1.099 385 M CB -0.296 32.410 32.600 0.177 0.000 1.427 385 M HN 0.271 nan 8.290 nan 0.000 0.489 386 D N 1.371 121.693 120.400 -0.130 0.000 2.737 386 D HA -0.135 4.506 4.640 0.002 0.000 0.243 386 D C -1.085 175.185 176.300 -0.051 0.000 1.109 386 D CA 0.404 54.342 54.000 -0.103 0.000 0.702 386 D CB -1.039 39.706 40.800 -0.092 0.000 1.068 386 D HN 0.262 nan 8.370 nan 0.000 0.432 387 L N -0.125 121.075 121.223 -0.040 0.000 2.387 387 L HA 0.453 4.794 4.340 0.002 0.000 0.266 387 L C 0.903 177.727 176.870 -0.077 0.000 1.059 387 L CA -1.014 53.828 54.840 0.004 0.000 0.801 387 L CB 0.763 42.889 42.059 0.112 0.000 1.223 387 L HN -0.020 nan 8.230 nan 0.000 0.456 388 D N 0.175 120.551 120.400 -0.041 0.000 2.383 388 D HA 0.048 4.689 4.640 0.002 0.000 0.245 388 D C 0.747 176.892 176.300 -0.259 0.000 1.263 388 D CA 0.074 54.015 54.000 -0.098 0.000 0.936 388 D CB 0.754 41.546 40.800 -0.013 0.000 1.053 388 D HN 0.437 nan 8.370 nan 0.000 0.507 389 T N 3.133 117.391 114.554 -0.493 0.000 3.118 389 T HA -0.018 4.333 4.350 0.002 0.000 0.260 389 T C 1.869 176.276 174.700 -0.488 0.000 1.139 389 T CA 0.328 61.845 62.100 -0.971 0.000 1.085 389 T CB 0.137 68.448 68.868 -0.928 0.000 0.934 389 T HN 0.366 nan 8.240 nan 0.000 0.518 390 R N 1.542 121.907 120.500 -0.225 0.000 2.073 390 R HA -0.020 4.321 4.340 0.002 0.000 0.234 390 R C 1.238 177.547 176.300 0.015 0.000 1.134 390 R CA 1.172 57.220 56.100 -0.086 0.000 0.952 390 R CB -0.429 29.838 30.300 -0.056 0.000 0.850 390 R HN 0.428 nan 8.270 nan 0.000 0.433 391 T N -2.762 111.837 114.554 0.075 0.000 2.932 391 T HA 0.232 4.583 4.350 0.002 0.000 0.289 391 T C 1.018 175.900 174.700 0.304 0.000 1.039 391 T CA -0.584 61.606 62.100 0.149 0.000 1.024 391 T CB 2.013 70.940 68.868 0.098 0.000 1.090 391 T HN 0.162 nan 8.240 nan 0.000 0.496 392 T N -1.640 113.053 114.554 0.233 0.000 3.014 392 T HA -0.054 4.297 4.350 0.002 0.000 0.263 392 T C 2.087 176.847 174.700 0.099 0.000 1.078 392 T CA 0.875 63.078 62.100 0.173 0.000 1.135 392 T CB -0.809 68.101 68.868 0.071 0.000 0.895 392 T HN 0.713 nan 8.240 nan 0.000 0.480 393 S N 2.439 118.198 115.700 0.098 0.000 2.500 393 S HA -0.101 4.370 4.470 0.002 0.000 0.239 393 S C 2.154 176.802 174.600 0.080 0.000 0.989 393 S CA 0.930 59.170 58.200 0.067 0.000 0.951 393 S CB -0.888 62.345 63.200 0.054 0.000 0.759 393 S HN 0.747 nan 8.310 nan 0.000 0.523 394 S N 1.715 117.496 115.700 0.135 0.000 2.522 394 S HA 0.217 4.688 4.470 0.002 0.000 0.227 394 S C 0.941 175.622 174.600 0.135 0.000 0.986 394 S CA 0.242 58.527 58.200 0.142 0.000 0.929 394 S CB -0.958 62.355 63.200 0.189 0.000 0.769 394 S HN 0.614 nan 8.310 nan 0.000 0.529 395 L N 0.851 122.130 121.223 0.093 0.000 3.717 395 L HA -0.165 4.176 4.340 0.002 0.000 0.411 395 L C 1.576 178.456 176.870 0.017 0.000 1.233 395 L CA 0.621 55.458 54.840 -0.006 0.000 0.917 395 L CB -2.506 39.553 42.059 0.002 0.000 1.902 395 L HN 0.732 nan 8.230 nan 0.000 0.894 396 W N 0.039 121.348 121.300 0.015 0.000 2.363 396 W HA -0.135 4.525 4.660 0.001 0.000 0.296 396 W C 1.702 178.235 176.519 0.024 0.000 1.212 396 W CA 1.339 58.695 57.345 0.018 0.000 1.260 396 W CB -0.717 28.750 29.460 0.011 0.000 1.131 396 W HN 0.294 nan 8.180 nan 0.000 0.530 397 K N 1.009 120.978 120.400 -0.718 0.000 2.057 397 K HA -0.156 4.165 4.320 0.002 0.000 0.207 397 K C 1.505 177.954 176.600 -0.251 0.000 1.049 397 K CA 2.281 58.172 56.287 -0.660 0.000 0.931 397 K CB -0.335 31.635 32.500 -0.883 0.000 0.714 397 K HN 0.055 nan 8.250 nan 0.000 0.440 398 D N 0.701 120.985 120.400 -0.193 0.000 2.117 398 D HA -0.104 4.537 4.640 0.002 0.000 0.198 398 D C 1.656 177.943 176.300 -0.023 0.000 0.982 398 D CA 1.130 55.074 54.000 -0.094 0.000 0.828 398 D CB 0.049 40.805 40.800 -0.074 0.000 0.967 398 D HN 0.108 nan 8.370 nan 0.000 0.464 399 K N 0.501 120.912 120.400 0.018 0.000 2.025 399 K HA 0.013 4.334 4.320 0.002 0.000 0.207 399 K C 2.203 178.862 176.600 0.097 0.000 1.049 399 K CA 1.085 57.414 56.287 0.069 0.000 0.933 399 K CB -0.139 32.423 32.500 0.104 0.000 0.714 399 K HN 0.075 nan 8.250 nan 0.000 0.438 400 A N 1.584 124.478 122.820 0.123 0.000 1.877 400 A HA -0.142 4.179 4.320 0.002 0.000 0.216 400 A C 2.389 180.048 177.584 0.126 0.000 1.186 400 A CA 1.931 54.069 52.037 0.168 0.000 0.620 400 A CB -0.808 18.319 19.000 0.213 0.000 0.822 400 A HN 0.340 nan 8.150 nan 0.000 0.443 401 A N -0.663 122.189 122.820 0.052 0.000 1.940 401 A HA -0.037 4.284 4.320 0.002 0.000 0.219 401 A C 2.240 179.833 177.584 0.015 0.000 1.176 401 A CA 1.880 53.925 52.037 0.013 0.000 0.631 401 A CB -0.931 18.040 19.000 -0.049 0.000 0.814 401 A HN 0.402 nan 8.150 nan 0.000 0.446 402 V N 0.266 120.197 119.914 0.028 0.000 2.358 402 V HA -0.189 3.932 4.120 0.002 0.000 0.246 402 V C 2.520 178.650 176.094 0.062 0.000 1.047 402 V CA 2.090 64.412 62.300 0.037 0.000 1.035 402 V CB -0.642 31.210 31.823 0.048 0.000 0.658 402 V HN 0.525 nan 8.190 nan 0.000 0.452 403 E N -0.086 120.174 120.200 0.100 0.000 2.150 403 E HA -0.112 4.239 4.350 0.002 0.000 0.193 403 E C 2.098 178.755 176.600 0.094 0.000 0.985 403 E CA 1.119 57.608 56.400 0.149 0.000 0.814 403 E CB -0.240 29.525 29.700 0.108 0.000 0.752 403 E HN 0.585 nan 8.360 nan 0.000 0.466 404 I N 1.199 121.835 120.570 0.110 0.000 2.252 404 I HA -0.249 3.922 4.170 0.002 0.000 0.245 404 I C 1.593 177.691 176.117 -0.032 0.000 1.102 404 I CA 0.960 62.321 61.300 0.103 0.000 1.385 404 I CB -0.273 37.835 38.000 0.181 0.000 1.064 404 I HN 0.014 nan 8.210 nan 0.000 0.414 405 N N 0.603 119.278 118.700 -0.043 0.000 2.309 405 N HA -0.140 4.601 4.740 0.002 0.000 0.182 405 N C 1.625 177.087 175.510 -0.079 0.000 1.018 405 N CA 0.736 53.736 53.050 -0.083 0.000 0.876 405 N CB -0.120 38.321 38.487 -0.076 0.000 0.972 405 N HN 0.168 nan 8.380 nan 0.000 0.434 406 L N 0.489 121.668 121.223 -0.074 0.000 2.072 406 L HA 0.095 4.436 4.340 0.002 0.000 0.205 406 L C 2.000 178.737 176.870 -0.222 0.000 1.079 406 L CA 1.182 55.947 54.840 -0.126 0.000 0.752 406 L CB -0.768 41.216 42.059 -0.126 0.000 0.906 406 L HN 0.132 nan 8.230 nan 0.000 0.436 407 A N -1.237 121.401 122.820 -0.304 0.000 1.933 407 A HA -0.155 4.166 4.320 0.002 0.000 0.218 407 A C 2.270 179.762 177.584 -0.154 0.000 1.175 407 A CA 1.961 53.754 52.037 -0.406 0.000 0.628 407 A CB -1.045 17.391 19.000 -0.939 0.000 0.814 407 A HN 0.287 nan 8.150 nan 0.000 0.444 408 V N -0.107 119.736 119.914 -0.117 0.000 2.343 408 V HA -0.239 3.882 4.120 0.002 0.000 0.247 408 V C 2.553 178.628 176.094 -0.032 0.000 1.051 408 V CA 1.958 64.221 62.300 -0.061 0.000 1.036 408 V CB -0.653 31.053 31.823 -0.194 0.000 0.654 408 V HN 0.574 nan 8.190 nan 0.000 0.451 409 L N -0.669 120.516 121.223 -0.063 0.000 2.093 409 L HA -0.183 4.158 4.340 0.002 0.000 0.208 409 L C 2.564 179.455 176.870 0.035 0.000 1.085 409 L CA 1.881 56.705 54.840 -0.026 0.000 0.755 409 L CB -0.701 41.341 42.059 -0.030 0.000 0.904 409 L HN 0.480 nan 8.230 nan 0.000 0.435 410 H N -0.429 118.588 119.070 -0.088 0.000 2.326 410 H HA -0.115 4.442 4.556 0.002 0.000 0.301 410 H C 2.353 177.660 175.328 -0.035 0.000 1.081 410 H CA 1.926 57.914 56.048 -0.100 0.000 1.334 410 H CB 0.041 29.675 29.762 -0.214 0.000 1.385 410 H HN 0.114 nan 8.280 nan 0.000 0.504 411 S N -0.275 115.370 115.700 -0.092 0.000 2.356 411 S HA -0.115 4.356 4.470 0.002 0.000 0.223 411 S C 1.906 176.488 174.600 -0.030 0.000 1.032 411 S CA 1.264 59.406 58.200 -0.097 0.000 1.005 411 S CB -0.457 62.777 63.200 0.056 0.000 0.867 411 S HN 0.324 nan 8.310 nan 0.000 0.449 412 F N 1.848 121.737 119.950 -0.102 0.000 2.234 412 F HA -0.033 4.495 4.527 0.002 0.000 0.299 412 F C 2.607 178.355 175.800 -0.086 0.000 1.087 412 F CA 0.912 58.877 58.000 -0.059 0.000 1.340 412 F CB -0.478 38.512 39.000 -0.016 0.000 1.031 412 F HN 0.209 nan 8.300 nan 0.000 0.500 413 Q N -0.820 119.017 119.800 0.062 0.000 2.230 413 Q HA -0.135 4.206 4.340 0.002 0.000 0.202 413 Q C 2.084 178.024 176.000 -0.099 0.000 0.963 413 Q CA 0.753 56.542 55.803 -0.022 0.000 0.866 413 Q CB -0.190 28.532 28.738 -0.028 0.000 0.931 413 Q HN 0.340 nan 8.270 nan 0.000 0.452 414 L N -0.142 120.967 121.223 -0.189 0.000 2.131 414 L HA 0.070 4.411 4.340 0.002 0.000 0.206 414 L C 1.837 178.619 176.870 -0.146 0.000 1.087 414 L CA 1.481 56.191 54.840 -0.217 0.000 0.767 414 L CB -0.320 41.520 42.059 -0.365 0.000 0.917 414 L HN 0.049 nan 8.230 nan 0.000 0.441 415 A N -1.376 121.356 122.820 -0.147 0.000 2.238 415 A HA 0.045 4.366 4.320 0.002 0.000 0.208 415 A C 0.742 178.260 177.584 -0.110 0.000 1.177 415 A CA 0.059 52.012 52.037 -0.140 0.000 0.804 415 A CB -0.311 18.567 19.000 -0.204 0.000 0.823 415 A HN 0.370 nan 8.150 nan 0.000 0.482 416 K N -0.942 119.407 120.400 -0.085 0.000 3.162 416 K HA -0.122 4.199 4.320 0.002 0.000 0.268 416 K C -0.718 175.850 176.600 -0.054 0.000 1.062 416 K CA 0.786 57.036 56.287 -0.063 0.000 0.769 416 K CB -2.544 29.920 32.500 -0.061 0.000 1.274 416 K HN 0.296 nan 8.250 nan 0.000 0.478 417 V N 0.909 120.803 119.914 -0.033 0.000 2.555 417 V HA 0.225 4.346 4.120 0.002 0.000 0.302 417 V C 0.719 176.899 176.094 0.143 0.000 1.038 417 V CA -0.758 61.553 62.300 0.018 0.000 0.887 417 V CB 2.126 33.885 31.823 -0.107 0.000 0.991 417 V HN 0.271 nan 8.190 nan 0.000 0.434 418 T N 6.728 121.337 114.554 0.092 0.000 2.817 418 T HA 0.481 4.832 4.350 0.002 0.000 0.295 418 T C -0.250 174.536 174.700 0.142 0.000 0.958 418 T CA 0.414 62.503 62.100 -0.017 0.000 1.157 418 T CB -0.338 68.369 68.868 -0.269 0.000 0.898 418 T HN 0.479 nan 8.240 nan 0.000 0.536 419 I N 1.206 121.806 120.570 0.049 0.000 3.191 419 I HA 0.814 4.985 4.170 0.002 0.000 0.313 419 I C -0.755 175.399 176.117 0.061 0.000 1.193 419 I CA -1.476 59.876 61.300 0.086 0.000 0.968 419 I CB 1.791 39.749 38.000 -0.070 0.000 1.262 419 I HN 0.361 nan 8.210 nan 0.000 0.456 420 V N 1.851 121.847 119.914 0.137 0.000 2.711 420 V HA 0.549 4.670 4.120 0.002 0.000 0.304 420 V C -1.580 174.571 176.094 0.096 0.000 1.097 420 V CA -0.331 62.053 62.300 0.140 0.000 0.906 420 V CB 1.838 33.833 31.823 0.287 0.000 1.015 420 V HN 1.028 nan 8.190 nan 0.000 0.427 421 D N 4.361 124.794 120.400 0.055 0.000 2.358 421 D HA 0.186 4.827 4.640 0.002 0.000 0.244 421 D C 1.342 177.651 176.300 0.015 0.000 1.163 421 D CA 0.257 54.282 54.000 0.041 0.000 0.945 421 D CB 0.472 41.267 40.800 -0.008 0.000 1.152 421 D HN 0.743 nan 8.370 nan 0.000 0.451 422 H N -0.027 118.975 119.070 -0.113 0.000 2.489 422 H HA -0.152 4.405 4.556 0.002 0.000 0.293 422 H C 0.880 176.111 175.328 -0.162 0.000 1.066 422 H CA 1.341 57.291 56.048 -0.164 0.000 1.305 422 H CB -0.504 29.104 29.762 -0.255 0.000 1.386 422 H HN 0.520 nan 8.280 nan 0.000 0.551 423 H N 1.015 119.855 119.070 -0.383 0.000 2.343 423 H HA 0.193 4.750 4.556 0.002 0.000 0.303 423 H C 2.528 177.821 175.328 -0.057 0.000 1.068 423 H CA 1.309 57.231 56.048 -0.210 0.000 1.359 423 H CB -0.289 29.320 29.762 -0.255 0.000 1.402 423 H HN 0.505 nan 8.280 nan 0.000 0.515 424 A N 1.366 124.231 122.820 0.074 0.000 1.902 424 A HA -0.091 4.230 4.320 0.002 0.000 0.217 424 A C 2.680 180.333 177.584 0.114 0.000 1.181 424 A CA 1.827 53.916 52.037 0.087 0.000 0.623 424 A CB -0.847 18.197 19.000 0.074 0.000 0.818 424 A HN 0.423 nan 8.150 nan 0.000 0.443 425 A N -0.174 122.713 122.820 0.113 0.000 1.877 425 A HA -0.129 4.192 4.320 0.002 0.000 0.216 425 A C 2.466 180.147 177.584 0.163 0.000 1.186 425 A CA 2.709 54.833 52.037 0.145 0.000 0.620 425 A CB -1.501 17.574 19.000 0.125 0.000 0.822 425 A HN 0.784 nan 8.150 nan 0.000 0.443 426 T N -2.567 112.067 114.554 0.132 0.000 2.867 426 T HA -0.077 4.274 4.350 0.002 0.000 0.268 426 T C 1.665 176.494 174.700 0.215 0.000 1.057 426 T CA 1.403 63.607 62.100 0.173 0.000 1.136 426 T CB -0.699 68.238 68.868 0.116 0.000 0.874 426 T HN 0.064 nan 8.240 nan 0.000 0.466 427 V N 2.718 122.732 119.914 0.167 0.000 2.427 427 V HA -0.155 3.966 4.120 0.002 0.000 0.248 427 V C 3.207 179.390 176.094 0.149 0.000 1.051 427 V CA 1.967 64.355 62.300 0.145 0.000 1.048 427 V CB -0.919 30.970 31.823 0.110 0.000 0.666 427 V HN 0.795 nan 8.190 nan 0.000 0.456 428 S N -0.145 115.655 115.700 0.167 0.000 2.383 428 S HA -0.204 4.267 4.470 0.002 0.000 0.227 428 S C 1.978 176.705 174.600 0.211 0.000 1.026 428 S CA 1.380 59.681 58.200 0.168 0.000 0.981 428 S CB -0.709 62.595 63.200 0.173 0.000 0.818 428 S HN 0.486 nan 8.310 nan 0.000 0.472 429 F N 2.125 122.143 119.950 0.112 0.000 2.234 429 F HA 0.099 4.627 4.527 0.002 0.000 0.299 429 F C 2.250 178.140 175.800 0.149 0.000 1.087 429 F CA 1.145 59.227 58.000 0.137 0.000 1.340 429 F CB -0.327 38.733 39.000 0.099 0.000 1.031 429 F HN 0.119 nan 8.300 nan 0.000 0.500 430 M N -0.015 119.656 119.600 0.120 0.000 2.159 430 M HA -0.163 4.318 4.480 0.002 0.000 0.263 430 M C 2.200 178.480 176.300 -0.033 0.000 1.063 430 M CA 1.451 56.769 55.300 0.030 0.000 1.110 430 M CB -1.181 31.481 32.600 0.104 0.000 1.374 430 M HN 0.059 nan 8.290 nan 0.000 0.411 431 K N -0.251 120.159 120.400 0.017 0.000 2.057 431 K HA -0.195 4.126 4.320 0.002 0.000 0.206 431 K C 1.964 178.548 176.600 -0.026 0.000 1.050 431 K CA 1.712 58.005 56.287 0.009 0.000 0.935 431 K CB -0.663 31.866 32.500 0.049 0.000 0.715 431 K HN 0.354 nan 8.250 nan 0.000 0.439 432 H N 0.092 119.085 119.070 -0.129 0.000 2.353 432 H HA -0.005 4.552 4.556 0.002 0.000 0.300 432 H C 1.677 176.850 175.328 -0.258 0.000 1.090 432 H CA 2.148 58.091 56.048 -0.174 0.000 1.327 432 H CB -0.173 29.458 29.762 -0.218 0.000 1.383 432 H HN 0.180 nan 8.280 nan 0.000 0.508 433 L N -0.273 120.656 121.223 -0.490 0.000 2.083 433 L HA -0.154 4.187 4.340 0.002 0.000 0.209 433 L C 2.258 178.962 176.870 -0.276 0.000 1.083 433 L CA 1.671 56.245 54.840 -0.444 0.000 0.752 433 L CB -0.403 41.457 42.059 -0.331 0.000 0.899 433 L HN 0.361 nan 8.230 nan 0.000 0.433 434 D N -0.054 120.232 120.400 -0.189 0.000 2.117 434 D HA -0.171 4.470 4.640 0.002 0.000 0.198 434 D C 1.917 178.145 176.300 -0.120 0.000 0.982 434 D CA 1.089 55.019 54.000 -0.117 0.000 0.828 434 D CB 0.055 40.815 40.800 -0.067 0.000 0.967 434 D HN 0.131 nan 8.370 nan 0.000 0.464 435 N N 0.564 119.179 118.700 -0.141 0.000 2.120 435 N HA -0.125 4.616 4.740 0.002 0.000 0.188 435 N C 1.629 177.058 175.510 -0.134 0.000 1.024 435 N CA 0.830 53.820 53.050 -0.100 0.000 0.852 435 N CB -0.261 38.196 38.487 -0.049 0.000 1.003 435 N HN 0.316 nan 8.380 nan 0.000 0.424 436 E N 0.647 120.681 120.200 -0.276 0.000 2.106 436 E HA -0.163 4.188 4.350 0.002 0.000 0.192 436 E C 1.889 178.399 176.600 -0.149 0.000 0.984 436 E CA 0.632 56.875 56.400 -0.261 0.000 0.806 436 E CB -0.116 29.318 29.700 -0.444 0.000 0.750 436 E HN 0.341 nan 8.360 nan 0.000 0.458 437 Q N 1.401 121.121 119.800 -0.133 0.000 2.084 437 Q HA -0.118 4.223 4.340 0.002 0.000 0.202 437 Q C 1.752 177.717 176.000 -0.059 0.000 0.978 437 Q CA 1.692 57.448 55.803 -0.079 0.000 0.844 437 Q CB 0.046 28.742 28.738 -0.070 0.000 0.898 437 Q HN 0.122 nan 8.270 nan 0.000 0.426 438 K N -0.824 119.541 120.400 -0.058 0.000 2.155 438 K HA 0.049 4.370 4.320 0.002 0.000 0.203 438 K C 1.964 178.545 176.600 -0.031 0.000 1.052 438 K CA 0.931 57.194 56.287 -0.039 0.000 0.948 438 K CB -0.077 32.403 32.500 -0.033 0.000 0.728 438 K HN 0.228 nan 8.250 nan 0.000 0.448 439 A N 1.344 124.145 122.820 -0.032 0.000 1.874 439 A HA -0.027 4.294 4.320 0.002 0.000 0.214 439 A C 1.810 179.383 177.584 -0.017 0.000 1.189 439 A CA 1.013 53.043 52.037 -0.011 0.000 0.615 439 A CB 0.014 19.023 19.000 0.015 0.000 0.830 439 A HN 0.129 nan 8.150 nan 0.000 0.443 440 R N -2.240 118.239 120.500 -0.036 0.000 2.509 440 R HA 0.273 4.614 4.340 0.002 0.000 0.297 440 R C 0.820 177.102 176.300 -0.029 0.000 0.951 440 R CA 0.513 56.595 56.100 -0.029 0.000 1.103 440 R CB 0.690 30.970 30.300 -0.034 0.000 1.283 440 R HN 0.686 nan 8.270 nan 0.000 0.534 441 G N 0.871 109.648 108.800 -0.039 0.000 2.147 441 G HA2 -0.194 3.767 3.960 0.002 0.000 0.244 441 G HA3 -0.194 3.767 3.960 0.002 0.000 0.244 441 G C 0.219 175.111 174.900 -0.015 0.000 1.005 441 G CA 0.078 45.153 45.100 -0.041 0.000 0.713 441 G HN 0.723 nan 8.290 nan 0.000 0.515 442 G N -2.389 106.408 108.800 -0.004 0.000 2.327 442 G HA2 0.574 4.535 3.960 0.002 0.000 0.291 442 G HA3 0.574 4.535 3.960 0.002 0.000 0.291 442 G C -0.808 174.111 174.900 0.033 0.000 1.290 442 G CA 0.599 45.728 45.100 0.049 0.000 0.857 442 G HN 2.073 nan 8.290 nan 0.000 0.520 443 C N 1.572 120.933 119.300 0.101 0.000 3.097 443 C HA 0.620 5.081 4.460 0.002 0.000 0.422 443 C C -2.730 172.255 174.990 -0.009 0.000 0.999 443 C CA -0.840 58.182 59.018 0.008 0.000 1.235 443 C CB 1.183 28.858 27.740 -0.109 0.000 1.615 443 C HN 0.743 nan 8.230 nan 0.000 0.553 444 P HA 0.444 nan 4.420 nan 0.000 0.271 444 P C -0.627 176.581 177.300 -0.154 0.000 1.226 444 P CA 0.532 63.279 63.100 -0.588 0.000 0.765 444 P CB 1.230 32.316 31.700 -1.023 0.000 0.835 445 A N 2.728 125.531 122.820 -0.028 0.000 2.488 445 A HA 0.406 4.727 4.320 0.002 0.000 0.298 445 A C -1.008 176.642 177.584 0.109 0.000 1.044 445 A CA -0.578 51.528 52.037 0.115 0.000 0.693 445 A CB 1.297 20.487 19.000 0.317 0.000 1.272 445 A HN 0.453 nan 8.150 nan 0.000 0.402 446 D N 1.959 122.412 120.400 0.088 0.000 2.428 446 D HA 0.123 4.764 4.640 0.002 0.000 0.221 446 D C 0.769 177.209 176.300 0.234 0.000 1.123 446 D CA -0.388 53.695 54.000 0.139 0.000 0.869 446 D CB 0.455 41.285 40.800 0.049 0.000 1.032 446 D HN 0.630 nan 8.370 nan 0.000 0.506 447 W N 4.136 125.483 121.300 0.078 0.000 2.321 447 W HA -0.294 4.367 4.660 0.002 0.000 0.306 447 W C 1.946 178.505 176.519 0.067 0.000 1.217 447 W CA 2.146 59.525 57.345 0.058 0.000 1.257 447 W CB 0.124 29.595 29.460 0.018 0.000 1.145 447 W HN 0.569 nan 8.180 nan 0.000 0.509 448 A N -1.447 121.659 122.820 0.477 0.000 2.019 448 A HA -0.172 4.148 4.320 0.002 0.000 0.219 448 A C 1.479 179.151 177.584 0.146 0.000 1.164 448 A CA 1.519 53.761 52.037 0.341 0.000 0.644 448 A CB -1.197 18.024 19.000 0.368 0.000 0.805 448 A HN 0.516 nan 8.150 nan 0.000 0.449 449 W N -0.647 120.640 121.300 -0.022 0.000 2.630 449 W HA 0.156 4.817 4.660 0.002 0.000 0.271 449 W C 1.893 178.314 176.519 -0.164 0.000 1.244 449 W CA 0.036 57.342 57.345 -0.065 0.000 1.353 449 W CB -0.104 29.341 29.460 -0.026 0.000 1.080 449 W HN 0.132 nan 8.180 nan 0.000 0.594 450 I N -0.001 120.553 120.570 -0.027 0.000 2.315 450 I HA -0.105 4.066 4.170 0.002 0.000 0.248 450 I C 0.653 176.588 176.117 -0.303 0.000 1.117 450 I CA 0.890 62.037 61.300 -0.254 0.000 1.404 450 I CB -1.627 36.160 38.000 -0.355 0.000 1.071 450 I HN -0.399 nan 8.210 nan 0.000 0.419 451 V N 4.791 124.453 119.914 -0.420 0.000 2.479 451 V HA 0.093 4.214 4.120 0.002 0.000 0.281 451 V C -1.674 174.259 176.094 -0.269 0.000 1.031 451 V CA -1.162 60.876 62.300 -0.437 0.000 1.038 451 V CB 0.139 31.474 31.823 -0.815 0.000 0.981 451 V HN 0.164 nan 8.190 nan 0.000 0.478 452 P HA 0.097 nan 4.420 nan 0.000 0.269 452 P C -1.950 175.226 177.300 -0.206 0.000 1.217 452 P CA -1.195 61.789 63.100 -0.195 0.000 0.783 452 P CB 0.067 31.662 31.700 -0.175 0.000 0.898 453 P HA -0.004 nan 4.420 nan 0.000 0.230 453 P C 0.479 177.667 177.300 -0.186 0.000 1.158 453 P CA 1.215 64.195 63.100 -0.200 0.000 0.769 453 P CB 0.050 31.622 31.700 -0.213 0.000 0.807 454 I N -6.671 113.754 120.570 -0.242 0.000 2.865 454 I HA 0.457 4.628 4.170 0.002 0.000 0.302 454 I C -0.322 175.689 176.117 -0.177 0.000 1.140 454 I CA -1.262 59.915 61.300 -0.204 0.000 1.021 454 I CB 2.088 39.943 38.000 -0.241 0.000 1.233 454 I HN -0.391 nan 8.210 nan 0.000 0.427 455 S N 2.358 118.006 115.700 -0.088 0.000 3.631 455 S HA -0.173 4.298 4.470 0.002 0.000 0.366 455 S C 1.278 175.856 174.600 -0.037 0.000 0.993 455 S CA 0.706 58.892 58.200 -0.022 0.000 1.167 455 S CB -1.615 61.642 63.200 0.096 0.000 0.909 455 S HN 1.259 nan 8.310 nan 0.000 0.478 456 G N 2.396 111.147 108.800 -0.082 0.000 2.545 456 G HA2 -0.271 3.690 3.960 0.002 0.000 0.217 456 G HA3 -0.271 3.690 3.960 0.002 0.000 0.217 456 G C 1.497 176.261 174.900 -0.226 0.000 1.218 456 G CA 1.375 46.438 45.100 -0.061 0.000 0.787 456 G HN 1.245 nan 8.290 nan 0.000 0.571 457 S N 0.042 115.318 115.700 -0.707 0.000 2.507 457 S HA 0.070 4.541 4.470 0.002 0.000 0.235 457 S C 2.023 176.544 174.600 -0.132 0.000 0.988 457 S CA 0.719 58.361 58.200 -0.932 0.000 0.944 457 S CB -0.105 62.417 63.200 -1.129 0.000 0.762 457 S HN 0.054 nan 8.310 nan 0.000 0.526 458 L N 2.471 123.675 121.223 -0.032 0.000 2.465 458 L HA 0.210 4.551 4.340 0.002 0.000 0.224 458 L C 1.354 178.356 176.870 0.220 0.000 1.145 458 L CA 0.801 55.715 54.840 0.123 0.000 0.834 458 L CB -1.156 41.009 42.059 0.178 0.000 0.944 458 L HN 0.629 nan 8.230 nan 0.000 0.451 459 T N -4.522 110.145 114.554 0.188 0.000 2.895 459 T HA 0.368 4.719 4.350 0.002 0.000 0.283 459 T C -1.670 173.194 174.700 0.274 0.000 1.014 459 T CA -1.943 60.290 62.100 0.221 0.000 1.037 459 T CB 1.967 70.915 68.868 0.135 0.000 1.006 459 T HN -0.148 nan 8.240 nan 0.000 0.468 460 P HA -0.097 nan 4.420 nan 0.000 0.220 460 P C 1.756 179.250 177.300 0.323 0.000 1.148 460 P CA 1.047 64.345 63.100 0.329 0.000 0.803 460 P CB -0.315 31.521 31.700 0.227 0.000 0.782 461 V N -3.995 116.056 119.914 0.228 0.000 2.759 461 V HA -0.165 3.956 4.120 0.002 0.000 0.256 461 V C 2.363 178.520 176.094 0.106 0.000 1.080 461 V CA 1.115 63.517 62.300 0.170 0.000 1.101 461 V CB -2.186 29.682 31.823 0.075 0.000 0.698 461 V HN -0.115 nan 8.190 nan 0.000 0.477 462 F N 1.889 121.780 119.950 -0.099 0.000 2.171 462 F HA -0.109 4.419 4.527 0.001 0.000 0.300 462 F C 2.384 178.253 175.800 0.114 0.000 1.090 462 F CA 1.984 59.907 58.000 -0.127 0.000 1.293 462 F CB -0.291 38.520 39.000 -0.315 0.000 1.013 462 F HN 0.279 nan 8.300 nan 0.000 0.486 463 H N -0.769 118.645 119.070 0.572 0.000 2.533 463 H HA 0.125 4.681 4.556 0.002 0.000 0.271 463 H C 0.190 175.781 175.328 0.439 0.000 1.000 463 H CA 0.193 56.540 56.048 0.498 0.000 1.149 463 H CB -0.215 29.803 29.762 0.427 0.000 1.375 463 H HN 0.265 nan 8.280 nan 0.000 0.582 464 Q N 1.724 121.809 119.800 0.474 0.000 2.307 464 Q HA 0.185 4.526 4.340 0.002 0.000 0.262 464 Q C -0.603 175.653 176.000 0.426 0.000 0.961 464 Q CA -0.484 55.557 55.803 0.396 0.000 0.882 464 Q CB 1.089 30.015 28.738 0.315 0.000 1.264 464 Q HN 0.212 nan 8.270 nan 0.000 0.446 465 E N 3.336 123.734 120.200 0.330 0.000 2.383 465 E HA 0.307 4.658 4.350 0.002 0.000 0.264 465 E C -0.546 176.201 176.600 0.245 0.000 1.050 465 E CA 0.141 56.690 56.400 0.249 0.000 0.896 465 E CB 0.903 30.728 29.700 0.209 0.000 0.982 465 E HN 0.595 nan 8.360 nan 0.000 0.424 466 M N 1.577 121.320 119.600 0.238 0.000 2.518 466 M HA 0.385 4.866 4.480 0.002 0.000 0.300 466 M C -1.190 175.226 176.300 0.193 0.000 1.175 466 M CA -1.008 54.439 55.300 0.245 0.000 0.890 466 M CB 2.399 35.204 32.600 0.343 0.000 1.710 466 M HN 0.158 nan 8.290 nan 0.000 0.453 467 V N 1.883 121.924 119.914 0.211 0.000 2.459 467 V HA 0.492 4.613 4.120 0.002 0.000 0.295 467 V C -0.711 175.531 176.094 0.247 0.000 1.029 467 V CA -0.731 61.724 62.300 0.259 0.000 0.874 467 V CB 1.716 33.742 31.823 0.339 0.000 0.985 467 V HN 0.791 nan 8.190 nan 0.000 0.438 468 N N 3.569 122.402 118.700 0.221 0.000 2.342 468 N HA 0.696 5.436 4.740 0.002 0.000 0.293 468 N C -1.281 174.343 175.510 0.191 0.000 1.026 468 N CA -0.402 52.688 53.050 0.067 0.000 0.857 468 N CB 1.520 40.044 38.487 0.062 0.000 1.256 468 N HN 0.658 nan 8.380 nan 0.000 0.484 469 Y N 0.191 120.514 120.300 0.038 0.000 2.713 469 Y HA 0.563 5.114 4.550 0.002 0.000 0.335 469 Y C -1.135 174.773 175.900 0.013 0.000 1.222 469 Y CA -1.232 56.884 58.100 0.026 0.000 1.061 469 Y CB 0.738 39.217 38.460 0.033 0.000 1.314 469 Y HN 0.207 nan 8.280 nan 0.000 0.453 470 I N 3.324 123.986 120.570 0.153 0.000 2.312 470 I HA 0.429 4.600 4.170 0.002 0.000 0.290 470 I C -0.734 175.445 176.117 0.104 0.000 1.008 470 I CA -0.431 60.904 61.300 0.059 0.000 1.226 470 I CB 0.959 38.982 38.000 0.037 0.000 1.371 470 I HN 0.411 nan 8.210 nan 0.000 0.468 471 L N 4.756 126.012 121.223 0.054 0.000 2.322 471 L HA 0.592 4.933 4.340 0.002 0.000 0.269 471 L C 0.058 176.935 176.870 0.012 0.000 1.012 471 L CA -0.560 54.321 54.840 0.069 0.000 0.815 471 L CB 2.020 44.119 42.059 0.066 0.000 1.295 471 L HN 0.509 nan 8.230 nan 0.000 0.438 472 S N 1.019 116.736 115.700 0.027 0.000 2.513 472 S HA 0.617 5.088 4.470 0.002 0.000 0.299 472 S C -2.574 172.049 174.600 0.039 0.000 1.087 472 S CA -1.429 56.773 58.200 0.004 0.000 1.012 472 S CB 1.846 65.061 63.200 0.024 0.000 1.044 472 S HN 0.231 nan 8.310 nan 0.000 0.485 473 P HA 0.360 nan 4.420 nan 0.000 0.267 473 P C -1.385 175.807 177.300 -0.181 0.000 1.201 473 P CA 0.045 63.063 63.100 -0.137 0.000 0.775 473 P CB 0.459 32.039 31.700 -0.200 0.000 0.854 474 A N 1.606 124.275 122.820 -0.251 0.000 2.589 474 A HA 0.636 4.957 4.320 0.002 0.000 0.296 474 A C -1.571 175.813 177.584 -0.335 0.000 1.062 474 A CA -0.473 51.423 52.037 -0.236 0.000 0.686 474 A CB 0.720 19.649 19.000 -0.118 0.000 1.282 474 A HN 0.287 nan 8.150 nan 0.000 0.404 475 F N 1.397 121.249 119.950 -0.164 0.000 2.410 475 F HA 0.648 5.176 4.527 0.002 0.000 0.349 475 F C 1.064 176.742 175.800 -0.203 0.000 1.117 475 F CA 0.360 58.254 58.000 -0.176 0.000 1.104 475 F CB 1.555 40.394 39.000 -0.269 0.000 1.122 475 F HN 0.562 nan 8.300 nan 0.000 0.483 476 R N 1.716 122.221 120.500 0.009 0.000 2.888 476 R HA 0.495 4.836 4.340 0.002 0.000 0.266 476 R C -1.507 174.754 176.300 -0.065 0.000 1.020 476 R CA -1.218 54.831 56.100 -0.085 0.000 0.963 476 R CB 1.575 31.861 30.300 -0.024 0.000 1.197 476 R HN 0.391 nan 8.270 nan 0.000 0.481 477 Y N 1.202 121.521 120.300 0.033 0.000 2.301 477 Y HA 0.184 4.735 4.550 0.002 0.000 0.328 477 Y C 0.502 176.403 175.900 0.001 0.000 1.242 477 Y CA -0.095 58.017 58.100 0.020 0.000 1.323 477 Y CB 1.056 39.514 38.460 -0.003 0.000 1.266 477 Y HN 0.444 nan 8.280 nan 0.000 0.527 478 Q N 2.260 122.158 119.800 0.163 0.000 2.456 478 Q HA 0.583 4.924 4.340 0.002 0.000 0.284 478 Q C -3.143 172.834 176.000 -0.038 0.000 1.061 478 Q CA -2.435 53.395 55.803 0.046 0.000 0.799 478 Q CB 2.519 31.277 28.738 0.033 0.000 1.445 478 Q HN 0.275 nan 8.270 nan 0.000 0.411 479 P HA 0.034 nan 4.420 nan 0.000 0.269 479 P C -0.842 176.259 177.300 -0.332 0.000 1.215 479 P CA 0.011 62.993 63.100 -0.196 0.000 0.780 479 P CB 0.455 32.054 31.700 -0.169 0.000 0.898 480 D N 3.076 123.147 120.400 -0.549 0.000 2.390 480 D HA 0.058 4.699 4.640 0.002 0.000 0.249 480 D C -0.871 174.847 176.300 -0.969 0.000 1.144 480 D CA -1.448 51.938 54.000 -1.023 0.000 0.880 480 D CB 0.242 40.035 40.800 -1.679 0.000 1.182 480 D HN 0.299 nan 8.370 nan 0.000 0.451 481 P HA -0.099 nan 4.420 nan 0.000 0.226 481 P C 0.115 177.165 177.300 -0.416 0.000 1.146 481 P CA 0.818 63.600 63.100 -0.529 0.000 0.773 481 P CB 0.076 31.526 31.700 -0.416 0.000 0.772 482 W N 0.000 120.930 121.300 -0.617 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.128 57.345 -0.362 0.000 1.226 482 W CB 0.000 29.181 29.460 -0.465 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535